benomyl-CAS-17804-35-2-—-Safety-Data-Sheet CAS_NUMBER 17804-35-2 (zh_CN)

benomyl (CAS 17804-35-2) — Safety Data Sheet

Safety data sheet documentation for benomyl (CAS 17804-35-2), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H340, H360FD, H335, H315). 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 17804-35-2 · PDF · 180 KB工作草稿 — 尚未经过审核和批准。

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SKU: SDS-17804-35-2 Category: Tags: , , , , , , , , , , , , ,

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🧬 3D分子可视化器
正在加载分子...
3D模型Benomyl，CAS 17804-35-2，分子式C14H18N4O3, 摩尔质量 290.32 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 17804-35-2
📊 物理化学性质

快速参考

化学式： C14H18N4O3
分子量： 290.32 g/mol
CAS号： 17804-35-2
外观： 白色结晶固体[注：高于572°F时分解而不熔化]。
气味： 微弱的刺鼻气味。
🔬 高级属性

化学标识符

SMILES: CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC

最后更新： 2026-08-25

化学概述: Benomyl
分子式C14H18N4O3[1]
分子量290.32 g/mol[1]
熔点140 °C
密度0.38 g/cm³
LogP（亲脂性）2.1[1]
IUPAC名称methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate[1]
SMILESCCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC[1]
InChIKeyRIOXQFHNBCKOKP-UHFFFAOYSA-N[1]

同义词: BENOMYL · 17804-35-2 · Benlate · Fundazol · Uzgen

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） (1 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

科学研究

[1]PubMed2023
Effect of benomyl-mediated mycorrhizal association on the salinity tolerance of male and monoecious mulberry clones.
Wang Y, Zhang N, Wu A et al.. (2023). "Effect of benomyl-mediated mycorrhizal association on the salinity tolerance of male and monoecious mulberry clones.". Plant physiology and biochemistry : PPB. h
查看完整研究 ↗
[2]PubMed2022
Transcriptional Response of Candida auris to the Mrr1 Inducers Methylglyoxal and Benomyl.
Biermann AR, Hogan DA. (2022). "Transcriptional Response of Candida auris to the Mrr1 Inducers Methylglyoxal and Benomyl.". mSphere. https://doi.org/10.1128/msphere.00124-22
查看完整研究 ↗
[3]CrossRef2012
Benomyl 17804‐35‐2
(2012). "Benomyl 17804‐35‐2". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp02457.pub2
查看完整研究 ↗
[4]PubMed1993
Benomyl.
Von Burg R. (1993). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550130514
查看完整研究 ↗
[5]PubMed1983
Benomyl.
Willhite CC. (1983). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550030509
查看完整研究 ↗
📚 科学参考文献（芝加哥作者-日期格式） 5 refs · 2 baz

MOLECULE 按CAS号参考文献（实时来自13+数据库）

来源： db:pubmed (4) · db:crossref (1)

  1. db:pubmed Wang Y, Zhang N, Wu A et al.. (2023). "Effect of benomyl-mediated mycorrhizal association on the salinity tolerance of male and monoecious mulberry clones.". Plant physiology and biochemistry : PPB. https://doi.org/10.1016/j.plaphy.2022.12.027 →
  2. db:pubmed Biermann AR, Hogan DA. (2022). "Transcriptional Response of Candida auris to the Mrr1 Inducers Methylglyoxal and Benomyl.". mSphere. https://doi.org/10.1128/msphere.00124-22 →
  3. db:crossref (2012). "Benomyl 17804‐35‐2". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp02457.pub2 →
  4. db:pubmed Von Burg R. (1993). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550130514 →
  5. db:pubmed Willhite CC. (1983). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550030509 →
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
17804-35-2
分子式
C14H18N4O3
摩尔质量
290.32 g/mol
IUPAC名称 (EN)
methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
SMILES
CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC
InChIKey
RIOXQFHNBCKOKP-UHFFFAOYSA-N
📚 Related literature (17 篇文章)

Matched automatically from public bibliographic databases by text similarity. Not curated for this substance, and not part of the safety data sheet.

筛选：
排序：
📈 出版时间线
1997
2010
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2025
📡 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
Density
0.38

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

🔍 外部标识符
14 / 16个ID系统88%
数据库标识符操作
CAS Registry Number17804-35-2打开 →
PubChem CID28780[1]打开 →
InChIKeyRIOXQFHNBCKOKP-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-…[1]
SMILESCCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC[1]
EC Number241-775-7[2]打开 →
ChEMBLCHEMBL327919[3]打开 →
KEGG CompoundC10896打开 →
HMDBHMDB0031767打开 →
ChemSpider26771[4]打开 →
MeSH UID (NLM)D001542打开 →
UNII (FDA)TLW21058F5打开 →
NSC Number (NCI)263489打开 →
WikiData QIDQ420172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 (3)

  1. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. 2023. "benomyl, n." Oxford English Dictionary. https://doi.org/10.1093/oed/5916263879. 链接 [访问日期: 2026-08-25]
  2. ★★☆☆☆ CROSSREF 🔓 开放 ✓ 已验证 Anonymous. 2012. "Benomyl 17804‐35‐2." Sax's Dangerous Properties of Industrial Materials: 1-2. https://doi.org/10.1002/0471701343.sdp02457.pub2. 链接 [访问日期: 2026-10-10] CC0 (metadata)
  3. ★☆☆☆☆ OPENLIBRARY ❓ ? International Program on Chemical Safety. 1993. "Benomyl." World Health Organization. 链接 [访问日期: 2026-08-25]
📡 光谱学 — CAS 17804-35-2
📊 光谱数据库 — 内联数据 9 来源

光谱按需从9个来源获取。每个光谱都存储在我们的数据库中 — 下次打开时无需向外部API发出请求。无需搜索即可为每个光谱下载JCAMP-DX / CSV / PNG。

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
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MS (NIST) Mass Spectrum (EI) — NIST WebBook
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🔗 来源
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📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
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🔗 来源
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📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
nmrshiftdb2 Database License
https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdbhtml/nmrshiftdb2datalicense.txt
Type of data: Predicted (calculated by nmrshiftdb2, not measured) — inferred: the source file carries no deposited measurement
Basis: the file returned by the NMRShiftDB search-or-predict service is a JCAMP-DX LINK block with spectrometer frequency 0, and its values match no deposited NMRShiftDB spectrum of this compound on record at MolGod.
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About the downloads (Type of data: Predicted (calculated by nmrshiftdb2, not measured) — inferred: the source file carries no deposited measurement)
JCAMP: the NMRShiftDB file as received (JCAMP-DX 5.01 text). It is a peak list: chemical shift in ppm. MolGod adds header lines stating the type of data; the values are unchanged.
CSV: the same peak list in two columns. The second column repeats the shift value; it is not a signal intensity. Lines starting with # state the type of data.
PNG: a picture of the plot above, with the type of data written on it.
Use: where signals are expected or were reported (chemical shift positions). Not included or guaranteed: intensities, multiplicities, coupling constants, line shapes, and solvent or temperature unless stated. A predicted list is not a measurement and cannot serve as a reference spectrum for identity or purity testing. Downloads become active after Show.
— 点
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
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🔗 来源
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📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

参考来源 — 无公共API。在外部数据库中打开：

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

参考来源 — 无公共API。在外部数据库中打开：

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

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📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
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📚 DOAJ — doaj.org

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数据从多个来源实时获取（优先级链）。每个光谱下可下载JCAMP-DX / CSV / PNG。

IR — 傅里叶变换红外光谱

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MS — 质谱（EI 70eV）

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结构性质

正在加载结构数据...

❓ 常见问题 (3)
What is Benomyl?
Benomyl (CAS 17804-35-2) is a chemical compound with the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol.
有帮助吗？
What is the CAS number of Benomyl?
The CAS number for Benomyl is 17804-35-2.
有帮助吗？
What is the chemical formula of Benomyl?
The molecular formula of Benomyl is C14H18N4O3.
有帮助吗？
➕ 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: 28780

🔄 浓度单位转换器 实时

输入Benomyl浓度（任意单位），其余将自动计算。

分子量： 290.32 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

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🧪 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

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🛡️ 安全 — CAS 17804-35-2
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)
GHS07 — 刺激性/有害
GHS07 刺激性/有害
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）

  • H340 — 可能导致遗传性缺陷(说明接触途径――如已确证无其他接触途径造成这一危害)
  • H360FD — May damage fertility. May damage the unborn child
  • H335 — 可引起呼吸道刺激
  • H315 — 造成皮肤刺激
  • H317 — 可能导致皮肤过敏反应
  • 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。
  • P273 — 避免释放到环境中。

✓ 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：613-049-00-3。

参考文献（芝加哥格式）： European Chemicals Agency. "benomyl (ISO); methyl 1-(butylcarbamoyl)benzimidazol-2-ylcarbamate, Index No. 613-049-00-3." 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： 17804-35-2 · 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 CHEMBL327919 ↗

📅 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
Benomyl
分子式
C14H18N4O3
logP (XLogP3)
2.10
摩尔质量（g/mol）
290.32
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)0.004 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 17804-35-2 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
1 0 0
健康： 1/4
易燃性： 0/4
反应性： 0/4
根据NFPA 704 / 由H代码计算

检查Benomyl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）
Benomyl• Benlate / Fundazol• IUPAC: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate• CAS: 17804-35-2• EC: 241-775-7• 分子式: C14H18N4O3• 摩尔质量: 290.32 g/mol危险GHS危险说明：H340 H360FD H335 H315 H317 H400 H410P203: 使用前取得、阅读并遵循所有安全说明书。P273: 避免释放到环境中。仅供实验室使用！Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.org批号: 净含量:
🧪 溶液配制助手（Smart Prep）

输入您要制备的内容——我将生成SOP

示例如下——点击插入：
预设配方：
📚 科学文献概览 — CAS 17804-35-2
⭐ 关键发现（科学文献） 18 出版物
🏆 CAS 17804-35-2 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    et al. (2020) · Toxicology Reports
    重要性： Open access
    SCORE 9.95 药理学 引用： 36 Open Access DOI ↗ PubMed ↗
  2. #2
    et al. (2021) · Antioxidants
    重要性： Open access
    SCORE 9.47 机制 引用： 10 Open Access DOI ↗ PubMed ↗
  3. #3
    Rostislav Streletskii, Angelika Astaykina, В. С. Чепцов et al. (2023) · Agriculture
    重要性： 近期（2023） · open access
    SCORE 9.39 机制 引用： 11 Open Access DOI ↗
  4. #4
    G.P. Sheeja Mol; D. Aruldhas; I. Hubert Joe (2022) · Heliyon
    重要性： Open access
    SCORE 8.75 机制 引用： 4 Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2022) · Molecules
    重要性： Open access
    SCORE 8.75 机制 引用： 4 Open Access DOI ↗ PubMed ↗
  6. #6
    Amy R. Biermann; Deborah A. Hogan (2022) · mSphere
    重要性： Open access
    SCORE 8.39 机制 引用： 6 Open Access DOI ↗ PubMed ↗
  7. #7
    Bai S; Zhang M; Tang S et al. (2024) · Molecules (Basel, Switzerland)
    重要性： 必引文献（经典） · 近期（2024） · 综述
    SCORE 8.24 综述 MUST-CITE 引用： 25 DOI ↗
  8. #8
    et al. (2022) · Human & Experimental Toxicology
    重要性： Open access
    SCORE 8.08 机制 引用： 2 Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2025) · Molecules
    重要性： 近期（2025） · open access
    SCORE 8.06 机制 引用： 3 Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2025) · International Journal of Molecular Sciences
    重要性： 近期（2025） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2024) · Analytica Chimica Acta
    重要性： 近期（2024）
    SCORE 6.71 机制 引用： 7 DOI ↗ PubMed ↗
  12. #12
    et al. (2024) · Brazilian Journal of Microbiology
    重要性： 近期（2024） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  13. #13
    Luo Q, Tang S, Xiao X et al. (2023) · Environmental science and pollution research international
    重要性： 近期（2023）
    SCORE 6.23 药理学 引用： 5 DOI ↗ PubMed ↗
  14. #14
    Junghee Lim, Marion G. Miller (1997) · Toxicology and Applied Pharmacology
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 5.48 药理学 引用： 66 DOI ↗
  15. #15
    et al. (2021) · Environmental Monitoring and Assessment
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 5.4 机制 引用： 4 DOI ↗ PubMed ↗
  16. #16
    Gold nanoparticles and carboxylated carbon nanotubes co-functionalized black phosphorene for ultrasensitive electrochemical detection of benomyl residues
    et al. (2025)
    重要性： 近期（2025）
    SCORE 4.8 机制
  17. #17
    et al. (2019) · Journal of Environmental Science and Health, Part B
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 4.13 机制 引用： 2 DOI ↗ PubMed ↗
  18. #18
    T. Al-Akraa (2010) · Journal of Plant Protection and Pathology
    重要性： Open access
    SCORE 2.25 药理学 Open Access DOI ↗

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数据

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benomyl (ISO) — CAS 17804-35-2, Annex VI index 613-049-00-3. Below: what the regulatory file for this substance must contain and where such files usually fail.

benomyl (CAS 17804-35-2) at a glance

  • Substance – benomyl
  • CAS number – 17804-35-2
  • EC number – 241-775-7
  • CLP Annex VI index number – 613-049-00-3
  • Also known as – methyl 1-(butylcarbamoyl)benzimidazol-2-ylcarbamate
  • Hazard statements – H340 (may cause genetic defects); H360FD (may damage fertility and the unborn child); H335 (may cause respiratory irritation); H315 (causes skin irritation); H317 (may cause an allergic skin reaction); H400 (very toxic to aquatic life)
  • Hazard classes – Muta. 1B, Repr. 1B, STOT SE 3, Skin Irrit. 2, Skin Sens. 1, Aquatic Acute 1
  • Label pictograms – GHS07, GHS08, GHS09
  • Signal word – Danger
  • Concentration limits / M-factor / ATE – M = 10
  • Entry current as of – CLP00
  • 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.

Which GHS pictograms apply to benomyl (ISO)?

The label for benomyl carries GHS07 (exclamation mark), GHS08 (health hazard), GHS09 (environment), with the signal word Danger. These are not chosen by the supplier: CLP Annex VI states them for CAS 17804-35-2, 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.

What is the CLP classification of benomyl (ISO)?

The harmonised classification for CAS 17804-35-2 carries 7 hazard statements: H340, H360FD, H335, H315, H317, H400, H410. In plain terms this means may cause genetic defects; may damage fertility and the unborn child; may cause respiratory irritation; causes skin irritation. 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.

Documentation demand on the EU market

CAS 17804-35-2 has a recorded presence on the European trading market, which means documentation for it is requested routinely rather than exceptionally. Substances that move in commerce attract repeat scrutiny: the same sheet is read by successive customers, carriers and authorities, and a defect that survives the first reading rarely survives the tenth.

What must the label for benomyl (ISO) contain?

The supply label for benomyl (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 H340, H360FD, H335… 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 Annex VI notes and concentration limits apply to benomyl (ISO)?

The register also records M = 10 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.

What is the EC number for benomyl (ISO)?

Alongside CAS 17804-35-2, this substance carries EC number 241-775-7 and Annex VI index 613-049-00-3. 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.

Accidental release and containment

Emergency procedures for benomyl are designed for immediate action during an incident, with section 6 focusing on efficiency: outlining what should be evacuated, what materials are appropriate for containment, and which substances must not be used in the process.

First-aid content and why it is read first

First-aid content for CAS 17804-35-2 has to be actionable by a person who is not a chemist and is reading under pressure. Section 4 also carries notes for the attending physician, which is where the classification becomes clinically relevant.

Other names for this substance

The same substance appears in trade and in the literature under several names: methyl 1-(butylcarbamoyl)benzimidazol-2-ylcarbamate. 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 17804-35-2 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.

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 17804-35-2 number or if the index 613-049-00-3 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.

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

The transport classification for benomyl falls under section 14 and varies depending on the mode of transport: ADR for road, IMDG for sea, and IATA for air. A document that prints all three classifications without specifying which one applies places the responsibility on the shipper to select the correct one, and it is the shipper who faces penalties for making an incorrect choice.

Why a correct sheet stops being correct

Classification under CLP moves with each Adaptation to Technical Progress. A sheet for CAS 17804-35-2 written before the amendment that touched its entry keeps stating a classification the register no longer holds. Nothing in the document announces this — it reads exactly as it did on the day it was issued, which is precisely why revision dates are checked before content.

Is benomyl (ISO) classified as a CMR substance?

CAS 17804-35-2 is classified as a CMR substance (H340, H360FD). 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.

What concentration limits apply to benomyl (ISO)?

M-factor on record: 10. 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.

Where is regulatory status recorded for benomyl (ISO)?

Section 15 records regulatory status for benomyl: whether it appears on the candidate list, whether it is subject to authorisation or restriction, and any national provisions. Downstream users ask this question routinely, and a sheet that answers it saves an exchange of emails per customer.

Questions about documentation for benomyl

In which language must the sheet be supplied?

In an official language of each Member State where benomyl is placed on the market, unless that State has stated otherwise.

Can I check whether my existing sheet is still valid?

Yes. A section-by-section reading against Annex II and the current harmonised entry establishes that in one pass, and a sheet that passes is reported as passing.

Do I need a safety data sheet to import benomyl 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 benomyl?

CAS 17804-35-2. In CLP Annex VI the same substance carries index number 613-049-00-3, and both identifiers should appear in the documentation.

MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 17804-35-2 identifies the subject of this document.

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Related products

📄 分析证书（CoA） CAS 17804-35-2 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

目前未在Crossref/OpenAlex中找到该物质的公开专利元数据。数据将在下次缓存刷新（24小时）后自动更新。

📚 参考文献（芝加哥作者-日期格式）——点击展开
  1. Wang Y, Zhang N, Wu A et al.. (2023). "Effect of benomyl-mediated mycorrhizal association on the salinity tolerance of male and monoecious mulberry clones.". Plant physiology and biochemistry : PPB. https://doi.org/10.1016/j.plaphy.2022.12.027
  2. Biermann AR, Hogan DA. (2022). "Transcriptional Response of Candida auris to the Mrr1 Inducers Methylglyoxal and Benomyl.". mSphere. https://doi.org/10.1128/msphere.00124-22
  3. (2012). "Benomyl 17804‐35‐2". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp02457.pub2
  4. Von Burg R. (1993). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550130514
  5. Willhite CC. (1983). "Benomyl.". Journal of applied toxicology : JAT. https://doi.org/10.1002/jat.2550030509
  6. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  7. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  8. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  9. 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.
  10. 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.
  11. 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.
  12. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  13. 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.
  14. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  15. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  16. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  17. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/17804-35-2?status=active&limit=10

📊 X射线衍射（PXRD） 高质量 30%

17804-35-2的晶体学数据已与COD验证（0个衍射峰）。以下2θ值可在实验室中通过PXRD鉴定多晶型。

晶系 空间群 晶胞参数（Å） 密度（g/cm³） R
— P 1 21 1 a=9.463 b=10.121 c=10.747 α=90.00° β=108.78° γ=90.00° 1.393 (calculated) 0.0457
科学参考文献 (芝加哥作者-日期格式)
  1. International Centre for Diffraction Data. 2024. PDF-4+ 2024. Newtown Square, PA: ICDD. 🔓
  2. Allen, Frank H. 2002. "The Cambridge Structural Database: a quarter of a million crystal structures and rising." Acta Crystallographica B 58 (3): 380–388. https://doi.org/10.1107/S0108768102003890
  3. Grazulis, Saulius, Adriana Merkys, Antanas Vaitkus, and Daniel Chateigner. 2012. "Computing stoichiometric molecular composition from crystal structures." Journal of Applied Crystallography 45 (6): 1241–1248. https://doi.org/10.1107/S0021889812042185 开放获取
  4. Cullity, B. D., and Stuart R. Stock. 2001. Elements of X-Ray Diffraction. 3rd ed. Upper Saddle River, NJ: Prentice Hall.
  5. Jenkins, Ron, and Robert L. Snyder. 1996. Introduction to X-Ray Powder Diffractometry. New York: Wiley-Interscience. https://doi.org/10.1002/9781118520949
  6. Giacovazzo, Carmelo, Hugo L. Monaco, Giuseppe Artioli, Davide Viterbo, Marco Milanesio, Gastone Gilli, Paola Gilli, Giuseppe Zanotti, Giampiero Ferraris, and Mario Catti. 2011. Fundamentals of Crystallography. 3rd ed. Oxford: Oxford University Press.
  7. Dinnebier, Robert E., and Simon J. L. Billinge, eds. 2008. Powder Diffraction: Theory and Practice. Cambridge: Royal Society of Chemistry. https://doi.org/10.1039/9781847558237
  8. United States Pharmacopeia. 2024. "Chapter <941> Characterization of Crystalline and Partially Crystalline Solids by X-Ray Powder Diffraction (XRPD)." USP-NF. Rockville, MD: USP. 🔓
常见问题解答——关于PXRD
How are polymorphic forms of a compound distinguished by PXRD?
Different polymorphic forms have different unit cell parameters, and therefore different 2θ peak positions. Just 3–5 characteristic peaks are enough to identify a form unambiguously. For example, aspirin Form I has a strong peak at 15.52°, Form II at 10.36°. The method is used as standard in the pharmaceutical industry (USP <941>, PhEur 2.9.33).
How is a PXRD pattern calculated from a CIF file without access to ICDD?
The pymatgen library (Python) offers XRDCalculator, which simulates a PXRD pattern from a CIF structural model: from the structure to the pattern through the structure factors F(hkl). Alternatively: VESTA (GUI), Mercury (CCDC), PowderCell. Calculated patterns are accurate for the model but may differ from experimental ones (preferred orientation effects, crystallite size, strain).
What is d-spacing and how is it interpreted?
d-spacing is the distance between parallel lattice planes of a crystal, expressed in angstroms (Å). The larger the d, the smaller the 2θ angle. Peaks with a large d (low 2θ) identify long-period structures; peaks at high 2θ — closely packed planes. d-spacing is a structural constant — it does not depend on the instrument.
What does I/I₀ (relative intensity) mean?
I/I₀ is the intensity of a peak expressed as a percentage of the intensity of the strongest peak (I₀=100). Intensity depends on the number of atoms in the plane, their type (atomic factor) and thermal scattering. For identifying a polymorphic form it is the SET of peaks that matters — not individual values.
数据来自PubChem来源： PubChem (NIH) · ChEMBL
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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17804-35-2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 17804-35-2. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=17804-35-2.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 17804-35-2. 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 17804-35-2. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=17804-35-2.
  5. ECHA. n.d. C&L Inventory and REACH Registration: CAS 17804-35-2. 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.

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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
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277326) · NIH 3D (3DPX-023721) · Wikimedia Commons
Source structure: PubChem (CID 28780)
📜 许可与来源
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Benomyl (CAS 17804-35-2), C14H18N4O3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview下载图片

MG_133-644-864-68 · engraved · 493,622 △ · 24 MB · SHA-256 4129edcf3b032f57

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Benomyl (CAS 17804-35-2), C14H18N4O3 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG_133-644-864-68 · normal · 16,320 △ · 797 KB · SHA-256 81fd9cf507d95925

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模型
Benomyl · 17804-35-2
InChIKey
RIOXQFHNBCKOKP-UHFFFAOYSA-N
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MolGod Scientific — Benomyl (CAS 17804-35-2)
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源数据
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由 MolGod 生成的 STL · MolGod STL Exporter build 97d4498f28a7 · 生成于 2026-10-04
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81fd9cf507d95925d645025607cf6f0ce7758c2e6656b3817da8eb007082be52
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70ae0bf6d23945ed537972c7bde0980d
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MG_133-644-864-68
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