Sodium Carbonate — 标签 CAS 497-19-8
Sodium Carbonate — label CAS 497-19-8

Sodium Carbonate (CAS 497-19-8)

Кальцинированная сода марки А. CAS 497-19-8.

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REACH 2020/878
v3 · 21.10.2026

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🧬 3D分子可视化器
正在加载分子...
3D模型Sodium Carbonate，CAS 497-19-8，分子式CNa₂O₃, 摩尔质量 105.988 g/mol

模型视图

  • Sodium Carbonate (CAS 497-19-8) – 球棍模型（平面投影）, MolGod Viewer
    球棍模型（平面投影）
  • Sodium Carbonate (CAS 497-19-8) – 骨架模型（平面投影）, MolGod Viewer
    骨架模型（平面投影）
  • Sodium Carbonate (CAS 497-19-8) – 二维结构, MolGod Viewer
    二维结构

© 2026 MolGod.org。保留所有权利。 · 图片版权

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🖨️ 3D 打印模型与许可PREDICTED MODEL · NOT VERIFIED
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  5. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  6. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/10340

MG-STL-497-19-8-ENGRAVED

Sodium Carbonate (CAS 497-19-8), CNa₂O₃ - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG-STL-497-19-8-NORMAL · 2,304 △ · 113 KB · SHA-256 922930eba8dd4957

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📊 物理化学数据 — CAS 497-19-8
📊 物理化学性质

快速参考

化学式： CNa₂O₃
分子量： 105.988 g/mol
CAS号： 497-19-8
外观： 灰白色粉末或块状物，含高达99%的碳酸钠
气味： 无味
🔬 高级属性

化学标识符

SMILES: C(=O)([O-])[O-].[Na+].[Na+]

最后更新： 2026-09-02

化学概述: Sodium Carbonate
分子式CNa₂O₃[1]
分子量105.988 g/mol[1]
IUPAC名称disodium;carbonate[1]
SMILESC(=O)([O-])[O-].[Na+].[Na+][1]
InChIKeyCDBYLPFSWZWCQE-UHFFFAOYSA-L[1]

同义词: SODIUM CARBONATE · 497-19-8 · Soda Ash · Disodium carbonate · Carbonic acid disodium salt

数据来源： PubChem (NLM/NIH)
最后更新： 2026-09-02

📚 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 · IUPAC名称 · SMILES · InChIKey

科学研究

[1]PubMed2025
Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.
Fiume MM, Bergfeld WF, Belsito DV et al.. (2025). "Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.". International journal of toxicology. ht
查看完整研究 ↗
[2]PubMed2023
Efficient transformation of hydroxylamine from wastewater after supplementation with sodium carbonate or calcium bicarbonate.
Chen M, He T, Liang X et al.. (2023). "Efficient transformation of hydroxylamine from wastewater after supplementation with sodium carbonate or calcium bicarbonate.". Ecotoxicology and environmental s
查看完整研究 ↗
[3]CrossRef2018
Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate
Yasuyuki Watanabe, Izumi Hirasawa. (2018). "Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate". KAGAKU KOGAKU RONBUNSHU. https://doi.org/10.1252/kakoro
查看完整研究 ↗
[4]CrossRef2013
Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite
Jolanta Prywer, Marcin Olszynski. (2013). "Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite". Journal of Crystal Growth. https://doi.org/10.1016/j.jcrysgro.201
查看完整研究 ↗
[5]Doaj2013
Scientific Opinion on the safety evaluation of the active substances, sodium carbonate peroxyhydrate coated with sodium carbonate and…
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF). (2013). "Scientific Opinion on the safety evaluation of the active substances, sodium carbonate peroxyhydrate coat
查看完整研究 ↗
[6]CrossRef2003
Disodium Ethylenediaminetetraacetate (Disodium EDTA)
(2003). "Disodium Ethylenediaminetetraacetate (Disodium EDTA)". Food Additives Data Book. https://doi.org/10.1002/9780470995327.ch308
查看完整研究 ↗
[7]CrossRef1987
Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt
Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al.. (1987). "Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt". Journal of Chemical & Engineering Data. ht
查看完整研究 ↗
[8]CrossRef1974
Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide
Kohei Kojima. (1974). "Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide". Toxicology. https://doi.org/10.1016/0300-483x(74)90009-2
查看完整研究 ↗
📚 科学参考文献（芝加哥作者-日期格式） 16 refs · 3 baz

MOLECULE 按CAS号参考文献（实时来自13+数据库）

来源： db:pubmed (2) · db:crossref (15) · db:doaj (1)

  1. db:pubmed Fiume MM, Bergfeld WF, Belsito DV et al.. (2025). "Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.". International journal of toxicology. https://doi.org/10.1177/10915818251361098 →
  2. db:crossref Yasuyuki Watanabe, Izumi Hirasawa. (2018). "Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate". KAGAKU KOGAKU RONBUNSHU. https://doi.org/10.1252/kakoronbunshu.44.207 →
  3. db:crossref Jolanta Prywer, Marcin Olszynski. (2013). "Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite". Journal of Crystal Growth. https://doi.org/10.1016/j.jcrysgro.2013.04.027 →
  4. db:crossref (2003). "Disodium Ethylenediaminetetraacetate (Disodium EDTA)". Food Additives Data Book. https://doi.org/10.1002/9780470995327.ch308 →
  5. db:crossref Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al.. (1987). "Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je00048a016 →
  6. db:crossref Kohei Kojima. (1974). "Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide". Toxicology. https://doi.org/10.1016/0300-483x(74)90009-2 →
  7. db:crossref R.W. Henningson. (1960). "Chemical Stability of Disodium Phenyl Phosphate in Carbonate-Bicarbonate Buffer". Journal of Dairy Science. https://doi.org/10.3168/jds.s0022-0302(60)90236-8 →
  8. db:crossref (0). "Specification for diSodium tetraborate dechydrate, diSidium pentahydrate and anhydrous diSodium tetraborate (technical grades)". https://doi.org/10.3403/30308633 →
  9. db:crossref (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_r1975_01_01 →
  10. db:crossref (0). "Calcium Disodium EDTA". https://doi.org/10.31003/fcc_f100915_04_01 →
  11. db:crossref (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_m28970_04_01 →
  12. db:crossref (0). "Cefotetan Disodium". https://doi.org/10.31003/uspnf_m14096_03_01 →
  13. db:crossref (0). "Etidronate Disodium". https://doi.org/10.31003/uspnf_m32350_06_01 →
  14. db:crossref (0). "Balsalazide Disodium". https://doi.org/10.31003/uspnf_m6988_05_01 →
  15. db:crossref (0). "pamidronate disodium". https://doi.org/10.18578/bnfc.377047875 →
  16. db:crossref (0). "Disodium EDTA". https://doi.org/10.31003/fcc_f100958_04_01 →
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
497-19-8
分子式
CNa₂O₃
摩尔质量
105.988 g/mol
IUPAC名称 (EN)
disodium;carbonate
SMILES
C(=O)([O-])[O-].[Na+].[Na+]
InChIKey
CDBYLPFSWZWCQE-UHFFFAOYSA-L
📡 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
2.505

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 外部标识符
13 / 16个ID系统81%
数据库标识符操作
CAS Registry Number497-19-8打开 →
PubChem CID10340[1]打开 →
InChIKeyCDBYLPFSWZWCQE-UHFFFAOYSA-L[1]打开 →
InChIInChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*…[1]
SMILESC(=O)([O-])[O-].[Na+].[Na+][1]
EC Number207-838-8[2]打开 →
ChEMBLCHEMBL186314[3]打开 →
DrugBankDB09460打开 →
HMDBHMDB0303516打开 →
ChemSpider9916[4]打开 →
UNII (FDA)45P3261C7T打开 →
NSC Number (NCI)156204打开 →
WikiData QIDQ190227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 (7)

  1. ★★★★☆ OPENLIBRARY 🔓 开放 Ted Lister, C. Osborne. 2000. "Sodium Carbonate." Royal Society of Chemistry. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  2. ★★☆☆☆ Crossref 🔓 开放 ❓ 未验证 Anonymous. "Photography. Processing chemicals. Specification for anhydrous sodium carbonate and sodium carbonate monohydrate.". https://doi.org/10.3403/00457644u. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  3. ★★☆☆☆ Crossref 🔓 开放 ❓ 未验证 Anonymous. "Photography. Processing chemicals. Specification for anhydrous sodium carbonate and sodium carbonate monohydrate.". https://doi.org/10.3403/00457644. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  4. ★★☆☆☆ Crossref 🔓 开放 ❓ 未验证 Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/uspnf_m76010_03_01. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  5. ★★☆☆☆ Crossref 🔓 开放 ❓ 未验证 Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/uspnf_x2r2449_01_01. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  6. ★★☆☆☆ Crossref 🔓 开放 ❓ 未验证 Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/fcc_f100548_03_01. 链接 [访问日期: 2026-11-05] CC0 (metadata)
  7. ★☆☆☆☆ OPENLIBRARY 🔓 开放 Imperial Chemical Industries, ltd.. 1937. "Sodium carbonate for metal refining." Imperial chemical industries limited. 链接 [访问日期: 2026-11-05] CC0 (metadata)
📡 光谱学 — CAS 497-19-8
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结构性质
参数值单位
分子式CNa2O3
摩尔质量105.988g/mol
精确质量105.96428242Da
单同位素质量105.96428242Da
拓扑极性表面积（TPSA）63.2000Ų
复杂度指数18.8
氢键供体0
氢键受体3
可旋转键0
重原子6
立体中心（原子）0
立体中心（键）0
3D 构象数0

来源： PubChem计算属性，CID 10340

❓ 常见问题 (3)
What is Sodium Carbonate?
Sodium Carbonate (CAS 497-19-8) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
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What is the CAS number of Sodium Carbonate?
The CAS number for Sodium Carbonate is 497-19-8. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
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How should Sodium Carbonate be stored?
Sodium Carbonate should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
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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: 10340

🔄 浓度单位转换器 实时

输入Sodium Carbonate浓度（任意单位），其余将自动计算。

分子量： 105.988 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.811e2008
    → 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

分子描述符

参数值单位
拓扑极性表面积（TPSA）63.20Ų
复杂度指数18.8
形式电荷0
中性分子

形状与体积

参数值单位
可旋转键0
重原子6

来源： PubChem计算属性，CID 10340

🛡️ 安全 — CAS 497-19-8
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)。

⚠ 警告 (Warning)
GHS07 — 刺激性/有害
GHS07 刺激性/有害

🚨 危险说明（H）

  • H319 — 造成严重眼刺激

🛡 防范说明（P）

  • P264 — 作业后彻底清洗手部[和……]。
  • P280 — 戴防护手套/穿防护服/戴防护眼罩/戴防护面具/戴听力保护装置……
  • P305+P351+P338 — 如进入眼睛：: 用水小心冲洗几分钟。; 如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
  • P337+P313 — 如眼刺激持续：: 求医/就诊。
  • P501 — 处置内装物/容器……

✓ 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：011-005-00-2。

参考文献（芝加哥格式）： European Chemicals Agency. "sodium carbonate, Index No. 011-005-00-2." 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： 497-19-8 · 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

Lek zatwierdzony (Faza 4)

I期
II期
III期
已批准

已获监管机构批准上市。

ChEMBL CHEMBL186314 ↗

📅 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
Sodium Carbonate
分子式
CNa₂O₃
logP (XLogP3)
—
摩尔质量（g/mol）
105.988
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。

该物质暂无溶剂相容性表。
Hansen 参数超出该方法的范围，因此无法计算距离 Ra，且数据库中也没有可替代的溶解度实测数据。与其给出十一项毫无依据的评级，我们选择不显示。请依据安全数据表和实验数据选择溶剂。
📚 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 497-19-8 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
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Sodium Carbonate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）
Sodium Carbonate• Soda Ash / Disodium carbonate• IUPAC: disodium;carbonate• CAS: 497-19-8• EC: 207-838-8• 分子式: CNa2O3• 摩尔质量: 105.988 g/mol警告GHS危险说明：H319: 造成严重眼刺激P305+P351+P338 P337+P313 P280 P501 P264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 497-19-8
⭐ 关键发现（科学文献） 3 出版物
🏆 CAS 497-19-8 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    Yasuyuki Watanabe, Izumi Hirasawa (2018) · KAGAKU KOGAKU RONBUNSHU
    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 4.94 机制 引用： 6 DOI ↗
  2. #2
    Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al. (1987) · Journal of Chemical & Engineering Data
    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 4.93 机制 引用： 43 DOI ↗
  3. #3
    Fiume MM, Bergfeld WF, Belsito DV et al. (2025) · International journal of toxicology
    重要性： 近期（2025） · 综述
    SCORE 4 综述 DOI ↗ PubMed ↗

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Кальцинированная сода марки А — CAS 497-19-8. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 分析证书（CoA） CAS 497-19-8 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

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. Fiume MM, Bergfeld WF, Belsito DV et al.. (2025). "Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.". International journal of toxicology. https://doi.org/10.1177/10915818251361098
  2. Yasuyuki Watanabe, Izumi Hirasawa. (2018). "Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate". KAGAKU KOGAKU RONBUNSHU. https://doi.org/10.1252/kakoronbunshu.44.207
  3. Jolanta Prywer, Marcin Olszynski. (2013). "Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite". Journal of Crystal Growth. https://doi.org/10.1016/j.jcrysgro.2013.04.027
  4. (2003). "Disodium Ethylenediaminetetraacetate (Disodium EDTA)". Food Additives Data Book. https://doi.org/10.1002/9780470995327.ch308
  5. Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al.. (1987). "Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je00048a016
  6. Kohei Kojima. (1974). "Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide". Toxicology. https://doi.org/10.1016/0300-483x(74)90009-2
  7. R.W. Henningson. (1960). "Chemical Stability of Disodium Phenyl Phosphate in Carbonate-Bicarbonate Buffer". Journal of Dairy Science. https://doi.org/10.3168/jds.s0022-0302(60)90236-8
  8. (0). "Specification for diSodium tetraborate dechydrate, diSidium pentahydrate and anhydrous diSodium tetraborate (technical grades)". https://doi.org/10.3403/30308633
  9. (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_r1975_01_01
  10. (0). "Calcium Disodium EDTA". https://doi.org/10.31003/fcc_f100915_04_01
  11. (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_m28970_04_01
  12. (0). "Cefotetan Disodium". https://doi.org/10.31003/uspnf_m14096_03_01
  13. (0). "Etidronate Disodium". https://doi.org/10.31003/uspnf_m32350_06_01
  14. (0). "Balsalazide Disodium". https://doi.org/10.31003/uspnf_m6988_05_01
  15. (0). "pamidronate disodium". https://doi.org/10.18578/bnfc.377047875
  16. (0). "Disodium EDTA". https://doi.org/10.31003/fcc_f100958_04_01
  17. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  18. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  19. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  20. 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.
  21. 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.
  22. 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.
  23. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  24. 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.
  25. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  26. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  27. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  28. 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/497-19-8?status=active&limit=10

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497-19-8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 497-19-8. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=497-19-8.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 497-19-8. 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 497-19-8. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=497-19-8.
  5. ECHA. n.d. C&L Inventory and REACH Registration: CAS 497-19-8. 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://openlibrary.org/isbn/9780471879558.
  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.
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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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  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.
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  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.
  54. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  55. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  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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📜 许可与来源PREDICTED MODEL · NOT VERIFIED
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  5. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  6. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/10340
模型
Sodium Carbonate · 497-19-8
InChIKey
CDBYLPFSWZWCQE-UHFFFAOYSA-L
许可协议
CC BY-SA 4.0 International (来源权利 未确定 — 尚未授予)
署名
MolGod Scientific — Sodium Carbonate (CAS 497-19-8)
许可与来源记录
Sodium Carbonate (CAS 497-19-8) →
MolGod 分子记录
Sodium Carbonate →
源数据
PubChem CID 10340 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL)
922930eba8dd4957678d429d77ffcaedec729eec96918f32f13c9da9dffed501
MD5 (STL)
f978154e953375143881ee92f8ed5ad1
模型标识符
MG-STL-497-19-8
转换
MolGod Scientific 球棍模型网格
更改
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
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可免费打印的分子模型
下载模型，打印出来并用于教学。发布照片、教学材料或改编作品时，CC BY-SA 4.0 International 许可要求：注明“MolGod Scientific”为模型作者，附上原始资源和许可文本的链接，标明所作修改，并以相同许可分享改编作品。本节提供可直接使用的署名文本。无需注册、无需付费，也无需留下评价。

本许可适用于 MolGod 创建的 STL 网格，不自动适用于第三方源材料。