chlorophacinone-CAS-3691-35-8-—-Safety-Data-Sheet CAS_NUMBER 3691-35-8 (zh_CN)

chlorophacinone (CAS 3691-35-8) — Safety Data Sheet

Safety data sheet documentation for chlorophacinone (CAS 3691-35-8), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H360D, H330, H310, H300). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.

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REACH 2020/878
v4 · 07.09.2026
下载安全数据表 (PDF)CAS 3691-35-8 · PDF · 193 KB工作草稿 — 尚未经过审核和批准。

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🧬 3D分子可视化器
正在加载分子...
3D模型Chlorophacinone，CAS 3691-35-8，分子式C23H15ClO3, 摩尔质量 374.8 g/mol

数据转录自法规登记册和专业文献，并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

📊 物理化学数据 — CAS 3691-35-8
📊 物理化学性质

快速参考

化学式： C23H15ClO3
分子量： 374.8 g/mol
CAS号： 3691-35-8
外观： 淡黄色晶体
气味： 无味
🔬 高级属性

化学标识符

SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O

最后更新： 2026-08-25

化学概述: Chlorophacinone
分子式C23H15ClO3[1]
分子量374.8 g/mol[1]
熔点140 °C[2]
密度1.43 g/cm³
LogP（亲脂性）4.3[1]
IUPAC名称2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione[1]
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O[1]
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N[1]

同义词: CHLOROPHACINONE · 3691-35-8 · Liphadione · Chlorphacinon · Redentin

数据来源： PubChem (NLM/NIH)
最后更新： 2026-08-25

📚 科学参考文献（芝加哥作者-日期格式） (2 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · LogP（亲脂性） · IUPAC名称 · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: 熔点

科学研究

[1]PubMed2022
Acute hemorrhage and death in calves following chlorophacinone exposure.
Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the A
查看完整研究 ↗
[2]PubMed2020
Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.
Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an
查看完整研究 ↗
[3]PubMed2018
Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.
Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticu
查看完整研究 ↗
[4]PubMed2016
Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.
Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https:
查看完整研究 ↗
[5]PubMed2016
Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.
Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016
查看完整研究 ↗
[6]PubMed2015
Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.
Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London,
查看完整研究 ↗
[7]PubMed2013
Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.
Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367
查看完整研究 ↗
[8]PubMed2012
Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.
Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968
查看完整研究 ↗
📚 科学参考文献（芝加哥作者-日期格式） 14 refs · 2 baz

MOLECULE 按CAS号参考文献（实时来自13+数据库）

来源： db:pubmed (13) · db:crossref (1)

  1. db:pubmed Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc. https://doi.org/10.1177/10406387211069369 →
  2. db:pubmed Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111518 →
  3. db:pubmed Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2017.08.117 →
  4. db:pubmed Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https://doi.org/10.1002/ps.4045 →
  5. db:pubmed Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016.10.017 →
  6. db:pubmed Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London, England). https://doi.org/10.1007/s10646-015-1418-8 →
  7. db:pubmed Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367 →
  8. db:pubmed Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968 →
  9. db:pubmed Ouyang XK, Chen XH, Yan YQ et al.. (2009). "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry.". Biomedical chromatography : BMC. https://doi.org/10.1002/bmc.1148 →
  10. db:pubmed Sarabia J, Sánchez-Barbudo I, Siqueira W et al.. (2008). "Lesions associated with the plexus venosus subcutaneus collaris of pigeons with chlorophacinone toxicosis.". Avian diseases. https://doi.org/10.1637/8251-020508-Case.1 →
  11. db:pubmed Papin F, Clarot F, Vicomte C et al.. (2007). "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone.". Forensic science international. https://doi.org/10.1016/j.forsciint.2006.04.003 →
  12. db:crossref (2004). "Chlorophacinone 3691‐35‐8". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp06011 →
  13. db:pubmed Radvanyi A, Weaver P, Massari C et al.. (1988). "Effects of chlorophacinone on captive kestrels.". Bulletin of environmental contamination and toxicology. https://doi.org/10.1007/BF01688891 →
  14. db:pubmed Vogel JJ, de Moerloose P, Bouvier CA et al.. (1988). "[Prolonged anticoagulation following chlorophacinone poisoning].". Schweizerische medizinische Wochenschrift.
物质监管状态
该物质受监管要求约束： 危险废物管理（BDO——波兰国家规定）. 详细信息请参见“法规状态（REACH/ECHA/CLP）”章节及安全数据表。 监管信息——不限制在本店购买。
🧮 化学计量计算器
🧪 化学数据
CAS号
3691-35-8
分子式
C23H15ClO3
摩尔质量
374.8 g/mol
IUPAC名称 (EN)
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. topnienia
145
Density
0.905

Source: PubChem, NIST WebBook. Last updated: 2026-08-25

🔍 外部标识符
13 / 16个ID系统81%
数据库标识符操作
CAS Registry Number3691-35-8打开 →
PubChem CID19402[1]打开 →
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(…[1]
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC…[1]
EC Number223-003-0[2]打开 →
ChEMBLCHEMBL1874081[3]打开 →
KEGG CompoundC18514打开 →
HMDBHMDB0250120打开 →
ChemSpider18286[4]打开 →
MeSH UID (NLM)C004662打开 →
UNII (FDA)34Y6E0063Y打开 →
WikiData QIDQ413488打开 →

来源：PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献（芝加哥作者-日期格式） (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

扩展参考文献 (4)

  1. ★★★★★ CANONICAL_PAPERS 💰 付费墙（可能） ✓ 已验证 Papin F; Clarot F; Vicomte C et al.. 2007. "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone." Forensic science international. 链接 [访问日期: 2026-10-11]
  2. ★★★★☆ CANONICAL_PAPERS 💰 付费墙（可能） ✓ 已验证 Hsu CW; Hsieh JH; Huang R et al.. 2016. "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs." Toxicology and applied pharmacology. 链接 [访问日期: 2026-10-11]
  3. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. 2007. "Chlorophacinone." Hawley's Condensed Chemical Dictionary: 285-285. https://doi.org/10.1002/9780470114735.hawley03585. 链接 [访问日期: 2026-08-25]
  4. ★☆☆☆☆ CANONICAL_PAPERS ❓ ? ✓ 已验证 Ouyang XK; Chen XH; Yan YQ et al.. 2009. "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry." Biomedical chromatography : BMC. 链接 [访问日期: 2026-10-11]
📡 光谱学 — CAS 3691-35-8
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结构性质

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❓ 常见问题 (3)
What is Chlorophacinone?
Chlorophacinone (CAS 3691-35-8) is a chemical compound with the molecular formula C23H15ClO3 and a molecular weight of 374.8 g/mol.
有帮助吗？
What is the CAS number of Chlorophacinone?
The CAS number for Chlorophacinone is 3691-35-8.
有帮助吗？
What is the chemical formula of Chlorophacinone?
The molecular formula of Chlorophacinone is C23H15ClO3.
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➕ 建议问题
下载结构文件

来自PubChem数据库（NIH）的分子结构文件。兼容Avogadro、PyMOL、Jmol和ChemDraw等程序。

来源：PubChem，美国国家医学图书馆（NIH）。 CID: 19402

🔄 浓度单位转换器 实时

输入Chlorophacinone浓度（任意单位），其余将自动计算。

分子量： 374.8 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用（每个公式）
转换分子式准确度来源
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 参考文献（8个权威来源）
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
相似分子结构

正在加载相似结构...

🧪 溶液制备向导 WIZARD
① 选择浓度
② 目标体积
③ 溶剂

计算依据： IUPAC Gold Book ↗, Merck ↗

计算化学

正在加载计算数据...

🛡️ 安全 — CAS 3691-35-8
数据限制说明。 本页安全信息仅供参考，不能替代完整的安全数据表（SDS）。使用产品前，请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质，不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)
GHS06 — 毒性
GHS06 毒性
GHS08 — 健康危害
GHS08 健康危害
GHS09 — 环境危害
GHS09 环境危害

🚨 危险说明（H）

  • H360D — 可能对胎儿造成伤害
  • H330 — 吸入致命
  • H310 — 皮肤接触致命
  • H300 — 吞咽致命
  • H372 — 长期或反复接触会对器官造成伤害(说明已知的所有受影响器官)( 说明接触途径――如已确证无其他接触途径造成这一危害)
  • H400 — 对水生生物毒性极大
  • H410 — 对水生生物毒性极大并具有长期持续影响

🛡 防范说明（P）

  • P203 — 使用前取得、阅读并遵循所有安全说明书。
  • P262 — 严防进入眼中、接触皮肤或衣服。

✓ 根据CLP法规(EC) 1272/2008附件VI的统一分类（官方、具有约束力的分类）。 索引号：606-014-00-9。

参考文献（芝加哥格式）： European Chemicals Agency. "chlorophacinone (ISO); 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione, Index No. 606-014-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

翻译：CLP 法规 (EC) 1272/2008，附件 III 和 IV。数据：PubChem/NLM。

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号： 3691-35-8 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS，法规
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. 急救、毒理学
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] 急救、个人防护装备、毒理学
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] 个人防护装备
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] 处置、法规
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] 储存
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] 储存
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. 国家规定——波兰 [↗] 废物处置
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] 毒理学

具有自身参考文献的选项卡（紧急情况、个人防护装备、储存、废物）在其各自章节中包含额外的书目条目。

📈 分析统计（t检验·RSD·Grubbs·Q-Dixon） ICH Q2

粘贴一系列重复测量结果（CSV或每行一个数字）。计算器将计算平均值、标准差和95%置信区间，并检测异常值（Grubbs + Dixon Q）。

分隔符：逗号、空格、制表符、换行。至少3个测量值。
📐 统计公式
  • x̄ = Σxᵢ / n — 算术平均值
  • s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
  • s = √s² — 标准差
  • RSD% = (s / x̄) × 100% — 相对标准差
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs检验
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源：ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧪 缓冲液配方计算器 唯一
参考文献： pKa值来自 Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

从 20 种常用缓冲体系列表中选择 → 输入目标 pH → 获得精确配方，包括称量质量。

步骤 1：选择缓冲体系

📜 配方历史记录（最近 10 条）
药物状态

Prekliniczny

I期
II期
III期
已批准

临床前——无人体研究数据。

ChEMBL CHEMBL1874081 ↗

📅 项目规划器——实验室实验管理器 新品

规划您的整个实验室项目：添加实验（含试剂、重复次数和持续时间）。您将获得甘特图、购物清单（含商店链接！）、预算（含10%余量）和GHS风险矩阵。

🧪 溶解性和溶剂兼容性
分子
Chlorophacinone
分子式
C23H15ClO3
logP (XLogP3)
4.30
摩尔质量（g/mol）
374.8
极性
疏水性（非极性）

⚠️ GC估算（Hoftyzer-Van Krevelen）。该CAS无文献HSP数据——精度±2 MPa½。请实验验证。

Ra < R₀ = 混溶性良好 · Ra < 1,5×R₀ = 临界 · 以上 = 较差（R₀ — 该分子 Hansen 溶解度球的半径） 该分子的 R₀ = 8.。

溶剂 兼容性 Ra 可视化 GC-MS HPLC 应用 参考文献
Water (H₂O)0.1 g/L（实测）—
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)——无依据✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)——无依据✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone——无依据✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)——无依据✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO——无依据✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF——无依据✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)——无依据✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)——无依据✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane——无依据✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene——无依据✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 溶剂科学参考文献（芝加哥作者-日期格式）——点击展开

11 种溶剂 · 54 条完整引用（NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS）— 见下文。

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — 周围神经病变（正己烷并非 IARC 致癌物）
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
溶解性理论（应用于相容性预测）：
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP三元组（dD, dP, dH）+ Ra公式。
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solvatochromism.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution for dD/dP/dH from SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — 250+溶剂的完整表格数据集（ε、μ、供体数、受体数）。
  8. PubChem Compound Database — CAS 3691-35-8 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

⚗️ 检查反应兼容性
4 0 0
健康： 4/4
易燃性： 0/4
反应性： 0/4
根据NFPA 704 / 由H代码计算

检查Chlorophacinone是否与另一种试剂兼容

📦 储存兼容性矩阵
酸类 碱 氧化剂 易燃 毒性 Gazy
酸类 ✓ ✗ ✗ ✗ ⚠ ✗
碱 ✗ ✓ ⚠ ⚠ ⚠ ⚠
氧化剂 ✗ ⚠ ✓ ✗ ⚠ ✗
易燃 ✗ ⚠ ✗ ✓ ⚠ ✗
毒性 ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ 可一起储存 · ⚠ 谨慎 · ✗ 禁止一起储存 · OSHA Chemical Segregation ↗

兼容性数据来源： Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 实验室计算器（8个）
稀释（C₁V₁=C₂V₂）
摩尔浓度（M=n/V）
pH缓冲液（Henderson-Hasselbalch）
Beer-Lambert（A=εcl）
质量→摩尔
浓度%→M
ppm→mg/L
温度 C↔F↔K

已验证的配方： IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库
📋 实验室方案生成器

方案基于以下内容生成： GHS SDS, Aldrich Lab Guide ↗

🏷️ 标签生成器（QR码）
Chlorophacinone• Liphadione / Chlorphacinon• IUPAC: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione• CAS: 3691-35-8• EC: 223-003-0• 分子式: C23H15ClO3• 摩尔质量: 374.8 g/mol危险GHS危险说明：H360D H330 H310 H300 H372 H400 H410P203: 使用前取得、阅读并遵循所有安全说明书。P262: 严防进入眼中、接触皮肤或衣服。仅供实验室使用！Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.org批号: 净含量:
Lipinski 描述符（结构）

类药性雷达图（Lipinski Ro5 / Veber）。绿色区域 = 符合标准。

预测数据 — 通过计算机模拟（SMILES/RDKit）计算的属性。不能替代临床研究。未经实验验证，不得用于药物评估。

MW374.8LogP4.3HBD0HBA3RotB4TPSA51.2 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✓ Ghose✓ REOS✗ Lead-like Ro3 (MW=375, LogP=4.3, RotB=4)
属性值评级
吸收（GI）高✓
血脑屏障通透性否
生物利用度（Daina 2017）
55%
CYP450概况CYP1A2 inhibitorCYP2C9 inhibitorCYP2C19 inhibitorCYP2D6 inhibitorCYP3A4 inhibitor
PAINS警告0✓
Brenk警告0✓
pKa (pH 7.4)3.4 (experimental)
hERG（心脏毒性）✓ 否
P-gp底物—
Ames致突变性✓ 否
DILI（肝毒性）—
LogS（水溶性）—
来源（ADMET方法学）
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc. https://doi.org/10.1177/10406387211069369
  22. Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111518
  23. Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2017.08.117
  24. Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https://doi.org/10.1002/ps.4045
  25. Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016.10.017
  26. Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London, England). https://doi.org/10.1007/s10646-015-1418-8
  27. Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367
  28. Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968
  29. Ouyang XK, Chen XH, Yan YQ et al.. (2009). "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry.". Biomedical chromatography : BMC. https://doi.org/10.1002/bmc.1148
  30. Sarabia J, Sánchez-Barbudo I, Siqueira W et al.. (2008). "Lesions associated with the plexus venosus subcutaneus collaris of pigeons with chlorophacinone toxicosis.". Avian diseases. https://doi.org/10.1637/8251-020508-Case.1
  31. Papin F, Clarot F, Vicomte C et al.. (2007). "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone.". Forensic science international. https://doi.org/10.1016/j.forsciint.2006.04.003
  32. (2004). "Chlorophacinone 3691‐35‐8". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp06011
  33. Radvanyi A, Weaver P, Massari C et al.. (1988). "Effects of chlorophacinone on captive kestrels.". Bulletin of environmental contamination and toxicology. https://doi.org/10.1007/BF01688891
  34. Vogel JJ, de Moerloose P, Bouvier CA et al.. (1988). "[Prolonged anticoagulation following chlorophacinone poisoning].". Schweizerische medizinische Wochenschrift.
  35. Anonymous. 2007. "Chlorophacinone." Hawley's Condensed Chemical Dictionary: 285-285. https://doi.org/10.1002/9780470114735.hawley03585. [DOI ↗]
  36. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  37. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  38. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  39. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  40. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  41. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  42. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  43. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  44. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  45. ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
  46. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗
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The Gap Report Guarantee

If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.

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If a signed card is rejected by an authority or by a customer’s compliance officer on one of the points we checked and reported as passed, we re-issue it corrected at no charge and credit the original fee.

This covers the checks we performed and named. It does not cover registration status, tonnage, or your role in the supply chain — those are not ours to hold, and a guarantee that pretended otherwise would be worth nothing.

This page describes the regulatory documentation issued for chlorophacinone (ISO) (CAS 3691-35-8). The item supplied is a document, not the substance.

chlorophacinone (CAS 3691-35-8) at a glance

  • Substance – chlorophacinone
  • CAS number – 3691-35-8
  • EC number – 223-003-0
  • CLP Annex VI index number – 606-014-00-9
  • Also known as – 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione
  • Hazard statements – H360D (may damage the unborn child); H330 (fatal if inhaled); H310 (fatal in contact with skin); H300 (fatal if swallowed); H372 (blood) (causes damage to organs through prolonged or repeated exposure); H400 (very toxic to aquatic life)
  • Hazard classes – Repr. 1B, Acute Tox. 1, Acute Tox. 1, Acute Tox. 1, STOT RE 1, Aquatic Acute 1
  • Label pictograms – GHS06, GHS08, GHS09
  • Signal word – Danger
  • Concentration limits / M-factor / ATE – Repr. 1B;H360D: C ≥ 0.003%;STOT RE 1;H372: C ≥ 0.1%;STOT RE 2;H373: 0.01% ≤ C < 0.1%;M = 1;M = 1
  • Entry current as of – ATP09
  • CMR classification – yes, classified as carcinogenic, mutagenic or toxic for reproduction
  • Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
  • What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.

Where is regulatory status recorded for chlorophacinone (ISO)?

Section 15 documents the regulatory status for chlorophacinone, detailing its inclusion on candidate lists, whether it is subject to authorisation or restriction, along with any applicable national regulations. This information is frequently requested by downstream users; providing a concise summary in a single document eliminates repetitive email exchanges with each customer.

Other names for this substance

The same substance appears in trade and in the literature under several names: 2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione. A safety data sheet has to carry the name used in the harmonised entry, but a purchase order, a customs declaration and a certificate of analysis may each use a different one. Where the names diverge, CAS 3691-35-8 is the identifier that reconciles them — and a document set that relies on trade names alone will eventually be read as describing three different materials.

What Annex VI notes and concentration limits apply to chlorophacinone (ISO)?

The register also records Repr. 1B;H360D: C ≥ 0.003%;STOT RE 1;H372: C ≥ 0.1%;STOT RE 2;H373: 0.01% ≤ C < 0.1%;M = 1;M = 1 for this entry. Specific concentration limits, M-factors and acute toxicity estimates override the generic cut-off values, so a mixture calculation that ignores them will classify the mixture wrongly in both directions.

Is chlorophacinone (ISO) classified as a CMR substance?

CAS 3691-35-8 is classified as a CMR substance (H360D). That status changes the obligations attached to every shipment: workplace exposure documentation, restrictions on supply to the general public, and substitution pressure from downstream users who must justify continued use. A safety data sheet for a CMR substance is read more closely than any other, because the classification itself invites scrutiny.

How is chlorophacinone (ISO) classified for road, sea and air transport?

Carriers and forwarders handling chlorophacinone must review section 14 in relation to the shipping documents prior to loading. If there are discrepancies, the shipment should be halted at the location where rectification would incur the highest cost.

Accidental release and containment

Section 6 addresses the accidental release of chlorophacinone, outlining personal precautions, environmental precautions, and containment methods. When the classification indicates an aquatic hazard, the environmental precautions section transitions from a mere formality to a critical instruction that must be rigorously followed.

In which language must the SDS for chlorophacinone (ISO) be supplied?

A safety data sheet must be supplied in an official language of every Member State where chlorophacinone (ISO) is placed on the market, unless that State has stated otherwise. This is the requirement most often missed by importers who hold a technically correct English document and assume it travels. A sheet in the wrong language is a refusal ground on its own, independent of the accuracy of its content.

What concentration limits apply to chlorophacinone (ISO)?

The harmonised entry for chlorophacinone carries specific concentration limits: H360D: C ≥ 0,003 %; H372 (blood): C ≥ 0,1 %; H373 (blood): 0,01 % ≤ C < 0,1 %. These override the generic cut-off values, so a mixture containing chlorophacinone is classified against these figures and not against the default thresholds. M-factor on record: 1. The M-factor multiplies the contribution of this substance in the aquatic hazard calculation for a mixture, which is where it is most often overlooked.

Which GHS pictograms apply to chlorophacinone (ISO)?

The label for chlorophacinone carries GHS06 (skull and crossbones), GHS08 (health hazard), GHS09 (environment), with the signal word Danger. These are not chosen by the supplier: CLP Annex VI states them for CAS 3691-35-8, and the precedence rules in Annex I decide which pictogram is dropped when two would say the same thing. A label showing a different set from the register is wrong even if every hazard statement on it is correct.

Who is responsible for REACH compliance for chlorophacinone (ISO)?

The responsibility for documentation accompanying chlorophacinone (ISO) lies with the entity introducing it into the Union market, rather than with any external supplier. Importers bear the same obligations as manufacturers, including designating an identifiable EU contact in section 1. A non-EU supplier may appoint a sole representative, but this appointment must be established prior to the movement of goods, not in response to subsequent inquiries.

What must the label for chlorophacinone (ISO) contain?

The supply label for chlorophacinone (ISO) is generated from the same classification that drives the safety data sheet: pictograms selected by precedence, one signal word derived from the highest hazard class present, and the hazard statements H360D, H330, H310… reproduced in full. Where the container is too small to carry the complete set at a legible size, there are lawful ways to handle it and unlawful ones that look identical to a non-specialist.

What is the EC number for chlorophacinone (ISO)?

Alongside CAS 3691-35-8, this substance carries EC number 223-003-0 and Annex VI index 606-014-00-9. European documentation is built around the EC number as often as around the CAS: registration dossiers, the candidate list and customs systems key on it. A safety data sheet quoting only one of the two forces every downstream reader to look up the other.

Can I import chlorophacinone (ISO) into the EU?

Bringing chlorophacinone (ISO) into the Union is a documentation exercise before it is a logistics one. The file has to exist at the moment of import, not at the moment somebody asks for it, and for ketones it is examined in the context of solvent shipments. Index 606-014-00-9 fixes the classification that section 2 must reproduce.

Identifiers that must agree

Identity verification must be conducted prior to hazard assessment. If discrepancies exist between the label, safety data sheet, and certificate regarding the CAS 3691-35-8 number or if the index 606-014-00-9 refers to a location where the name does not match, a reviewer will lose trust in all three documents simultaneously, despite their internal consistency. This is because inconsistencies among these key documentation elements undermine their reliability as a unified source of information.

What is the CLP classification of chlorophacinone (ISO)?

The harmonised classification for CAS 3691-35-8 carries 7 hazard statements: H360D, H330, H310, H300, H372 (blood), H400, H410. In plain terms this means may damage the unborn child; fatal if inhaled; fatal in contact with skin; fatal if swallowed. A harmonised entry is binding across the Union — an importer may not soften it, and a self-classification that diverges from it will not survive an enforcement check.

Questions about documentation for chlorophacinone

Do I need a safety data sheet to import chlorophacinone into the EU?

Yes. A sheet compiled to Annex II of REACH must exist before the first consignment moves, and it must be held by the entity placing the substance on the Union market.

What is the CAS number of chlorophacinone?

CAS 3691-35-8. In CLP Annex VI the same substance carries index number 606-014-00-9, and both identifiers should appear in the documentation.

Is chlorophacinone a CMR substance?

Yes. The harmonised classification places it among substances classified as carcinogenic, mutagenic or toxic for reproduction, which changes workplace documentation and supply restrictions.

What hazard statements apply to CAS 3691-35-8?

The harmonised entry lists H360D, H330, H310, H300. These are binding across the Union and may not be softened by a self-classification.

MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 3691-35-8 identifies the subject of this document.

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文件由谁编制
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Related products

📄 分析证书（CoA） CAS 3691-35-8 无

数据库中无此产品的证书。

📚 科学参考文献（芝加哥作者-日期格式）——点击展开

批次管理与实验室认证标准——13个独立来源（ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG）。

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [链接 ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [链接 ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [链接 ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [链接 ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [链接 ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [链接 ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [链接 ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [链接 ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [链接 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [链接 ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [链接 ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [链接 ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [链接 ↗] — Excipient-grade CoA standard for non-API ingredients
📜 专利（公开元数据） 无数据

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📚 参考文献（芝加哥作者-日期格式）——点击展开
  1. Radke SL, Schrunk DE, Ruane A et al.. (2022). "Acute hemorrhage and death in calves following chlorophacinone exposure.". Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc. https://doi.org/10.1177/10406387211069369
  2. Moriceau MA, Lefebvre S, Fourel I et al.. (2020). "Accidental chlorophacinone exposure of lactating ewes: Clinical follow-up and human health dietary implications.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111518
  3. Alomar H, Chabert A, Coeurdassier M et al.. (2018). "Accumulation of anticoagulant rodenticides (chlorophacinone, bromadiolone and brodifacoum) in a non-target invertebrate, the slug, Deroceras reticulatum.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2017.08.117
  4. Witmer GW, Snow NP, Moulton RS. (2016). "Retention time of chlorophacinone in black-tailed prairie dogs informs secondary hazards from a prairie dog rodenticide bait.". Pest management science. https://doi.org/10.1002/ps.4045
  5. Hsu CW, Hsieh JH, Huang R et al.. (2016). "Differential modulation of FXR activity by chlorophacinone and ivermectin analogs.". Toxicology and applied pharmacology. https://doi.org/10.1016/j.taap.2016.10.017
  6. Rattner BA, Horak KE, Lazarus RS et al.. (2015). "Toxicity reference values for chlorophacinone and their application for assessing anticoagulant rodenticide risk to raptors.". Ecotoxicology (London, England). https://doi.org/10.1007/s10646-015-1418-8
  7. Vein J, Vey D, Fourel I et al.. (2013). "Bioaccumulation of chlorophacinone in strains of rats resistant to anticoagulants.". Pest management science. https://doi.org/10.1002/ps.3367
  8. Vyas NB, Hulse CS, Rice CP. (2012). "Chlorophacinone residues in mammalian prey at a black-tailed prairie dog colony.". Environmental toxicology and chemistry. https://doi.org/10.1002/etc.1968
  9. Ouyang XK, Chen XH, Yan YQ et al.. (2009). "Characterization and determination of chlorophacinone in plasma by ion chromatography coupled with ion trap electrospray ionization mass spectrometry.". Biomedical chromatography : BMC. https://doi.org/10.1002/bmc.1148
  10. Sarabia J, Sánchez-Barbudo I, Siqueira W et al.. (2008). "Lesions associated with the plexus venosus subcutaneus collaris of pigeons with chlorophacinone toxicosis.". Avian diseases. https://doi.org/10.1637/8251-020508-Case.1
  11. Papin F, Clarot F, Vicomte C et al.. (2007). "Lethal paradoxical cerebral vein thrombosis due to suspicious anticoagulant rodenticide intoxication with chlorophacinone.". Forensic science international. https://doi.org/10.1016/j.forsciint.2006.04.003
  12. (2004). "Chlorophacinone 3691‐35‐8". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp06011
  13. Radvanyi A, Weaver P, Massari C et al.. (1988). "Effects of chlorophacinone on captive kestrels.". Bulletin of environmental contamination and toxicology. https://doi.org/10.1007/BF01688891
  14. Vogel JJ, de Moerloose P, Bouvier CA et al.. (1988). "[Prolonged anticoagulation following chlorophacinone poisoning].". Schweizerische medizinische Wochenschrift.
  15. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  16. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  17. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  18. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  19. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  20. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  21. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  22. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
  23. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  24. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  25. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  26. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

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📚 参考文献（综合书目，芝加哥作者-日期格式） 78 条目

以上折叠面板中针对CAS号3691-35-8引用的所有科学来源。格式： 《芝加哥格式手册》第17版，作者-日期系统.

🗄️ 科学数据库

  1. NIST. n.d. NIST Chemistry WebBook: CAS 3691-35-8. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=3691-35-8.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 3691-35-8. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 3691-35-8. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=3691-35-8.
  5. ECHA. n.d. C&L Inventory and REACH Registration: CAS 3691-35-8. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

📐 标准/指南

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 书籍

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 科学文章（同行评审）

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 网站

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  10. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  11. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  12. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  13. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  14. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  15. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  16. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  17. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  18. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  19. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  20. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  21. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  22. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
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  24. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  25. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  26. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  27. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  28. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  29. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  30. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
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  32. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. 国家规定——波兰
  33. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. 国家规定——波兰
  34. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021. 国家规定——波兰
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  41. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
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  43. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
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  45. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  46. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  47. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  48. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  49. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  50. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  51. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  52. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  53. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
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  56. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  57. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23297324) · Wikimedia Commons
Source structure: PubChem (CID 19402)
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Chlorophacinone (CAS 3691-35-8), C23H15ClO3 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl O), MolGod STL preview下载图片

MG_940-128-408-66 · engraved · 594,382 △ · 28 MB · SHA-256 5f50179a2ea8bc38

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Chlorophacinone (CAS 3691-35-8), C23H15ClO3 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG_940-128-408-66 · normal · 17,760 △ · 867 KB · SHA-256 02c5b960acf80e78

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模型
Chlorophacinone · 3691-35-8
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
许可协议
CC BY-SA 4.0 International
署名
MolGod Scientific — Chlorophacinone (CAS 3691-35-8)
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Chlorophacinone →
源数据
PubChem CID 19402 ↗
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由 MolGod 生成的 STL · MolGod STL Exporter build 97d4498f28a7 · 生成于 2026-10-04
SHA-256 (STL)
02c5b960acf80e78d153c9fe7bd6b3253853129f61f5c05620614586434df4ff
MD5 (STL)
0b39a88c25bb7da3793bcdceea12c956
MolGod Identification Number
MG_940-128-408-66
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