Sodium citrate tribasic hydrate - ≥99% , CAS No.6858-44-2

CAS: 6858-44-2 Cat. No.: S304382 Molecular Weight: 258.07 (anhydrous basis) PubChem CID: 21868242

GRADE & PURITY ≥99%

Synonyms

Citric acidtrisodium salt | Trisodium citratehydrate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Citric acidtrisodium salt | Trisodium citratehydrate

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769059
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769059
• Canonical Smiles: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate
• InChIKey: PKIDNTKRVKSLDB-UHFFFAOYSA-K
• INCHI: 1S/C6H8O7.3Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3
• Isomeric SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[Na+].[Na+].[Na+]
• Alternate CAS: 6132-04-3
• PubChem CID: 21868242
• Molecular Weight: 258.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Water solubility: 51.62 g/L(20℃)
• Melt Point(°C): >300 °C
• Molecular Weight: 276.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 275.983 Da
• Monoisotopic Mass: 275.983 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

References

1. Hongyu Wang, Kai Zhang, Lanlan Wu, Yanji Wang, Xiaohang Du, Jingde Li.  (2023)  Charge transfer and spillover effect enabled high-performance titanium dioxide supported PtCu catalyst towards acidic oxygen reduction.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148097]

2. Li Zheng, Chao-Rui Zhang, Dan Zhao, Xuan Wanga, Ting-Ting Du.  (2023)  Nickel Hexacyanoferrate Derived β-Ni(OH)2 Flakes as Electrochemical Sensor for Sensitive Detection of Hydrazine.  International Journal of Electrochemical Science,      [PMID:] [10.20964/2020.07.60]

3. Hongbin Wang, Beirong Ye, Chen Li, Tao Tang, Sipu Li, Shaojun Shi, Chunyang Wu, Yongqi Zhang.  (2023)  Vertical Graphene-Supported NiMo Nanoparticles as Efficient Electrocatalysts for Hydrogen Evolution Reaction under Alkaline Conditions.  Materials,  16  (8): (3171).  [PMID:37110007] [10.3390/ma16083171]

4. Yanping Guo, Jichun Zhu, Dongxing Kou, Wenhui Zhou, Zhengji Zhou, Shengjie Yuan, Yafang Qi, Yuena Meng, Litao Han, Zhi Zheng, Sixin Wu.  (2022)  Plasmonic Local Electric Field-Enhanced Interface toward High-Efficiency Cu2ZnSn(S,Se)4 Thin-Film Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:35653219] [10.1021/acsami.2c04027]

5. Rufen Wu, Kai Li, Chenyang Shen, Juan Huang, Zeyu Gao, Keru Tang, Yumin Leng, Zhengbo Chen.  (2021)  Antioxidant Recognition by Colorimetric Sensor Array Based on Differential Etching of Gold Nanorods and Gold Nanobypyramids.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01817]

6. Vu Van Thuy, Nguyen Si Hieu, Tran Viet Thu.  (2024)  Novel mixed nickel/cobalt hexacyanoferrate microcubes with synergistic effects for aqueous hybrid supercapacitors.  DALTON TRANSACTIONS,      [PMID:39385678] [10.1039/D4DT02124J]

7. Xiao Chen, Yating Hou, Jinghan Xu, Ningyuan Song, Xinru Wei, Yanru Liu, Kang Liu, Yunmei Du, Lei Wang.  (2025)  0D-2D Interaction: Pt quantum dots trigger the strain effect of S-NiFeP nanosheet to achieve ampere-level current density overall water splitting performance of Pt@S-NiFeP/NF electrode.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125749]

8. Kui Zou, Hongbo Zhao.  (2025)  Ligand-induced tetrad effect in coordination leaching of ion-adsorption rare earth ores: enhanced recovery of high-value low-lanthanum rare earth concentrates.  GREEN CHEMISTRY,  27  (27): (8174-8187).  [PMID:] [10.1039/D5GC02367J]

9. Xuejian Zhang, Yongjie Wang, Shuanghong Zhao, Shuai Zhang, Xinhua Gao, Kangzhou Wang, Subing Fan, Qingxiang Ma, Tian-Sheng Zhao, Jianli Zhang.  (2026)  Precise tuning of N configurations on Fe/CN catalysts achieves high selectivity for linear α-olefins in Fischer-Tropsch synthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.175082]