Cas no 732304-21-1 (1,2,3-Benzenetricarboxylic Acid Hydrate)

1,2,3-Benzenetricarboxylic Acid Hydrate is a trifunctional carboxylic acid derivative of benzene, commonly used as an intermediate in organic synthesis and coordination chemistry. Its hydrate form ensures improved solubility in aqueous solutions, facilitating its application in chelating agents, polymer production, and metal-organic frameworks (MOFs). The compound’s three carboxyl groups provide multiple binding sites, making it valuable for constructing complex molecular architectures. Its stability under moderate conditions and consistent purity make it suitable for research and industrial processes requiring precise stoichiometry. The hydrate form also enhances handling safety by reducing dust formation compared to anhydrous variants. This compound is particularly useful in catalysis and material science applications.
1,2,3-Benzenetricarboxylic Acid Hydrate structure
732304-21-1 structure
Product Name:1,2,3-Benzenetricarboxylic Acid Hydrate
CAS No:732304-21-1
MF:C9H8O7
MW:228.155623435974
MDL:MFCD00149096
CID:2602405
PubChem ID:24891760
Update Time:2025-06-09

1,2,3-Benzenetricarboxylic Acid Hydrate Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Benzenetricarboxylic Acid Hydrate
    • 1,2,3-Benzenetricarboxylic acid hydrate (1:1)
    • SCHEMBL713566
    • Q20180597
    • benzene-1,2,3-tricarboxylic acid;hydrate
    • 1177349-18-6
    • CS-0207646
    • 732304-21-1
    • AKOS015889440
    • DTXSID201018141
    • 1,2,3-Benzenetricarboxylic acid hydrate, 98%
    • benzene-1,2,3-tricarboxylic acid hydrate
    • 1,2,3-BENZENETRICARBOXYLICACIDHYDRATE
    • FB71297
    • 664-412-8
    • 621-392-5
    • MDL: MFCD00149096
    • Inchi: 1S/C9H6O6.H2O/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);1H2
    • InChI Key: DYDNZUYNRZENMU-UHFFFAOYSA-N
    • SMILES: OC(C1C(C(=O)O)=CC=CC=1C(=O)O)=O.O

Computed Properties

  • Exact Mass: 228.02700259g/mol
  • Monoisotopic Mass: 228.02700259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 275
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • Melting Point: 190-192?°C (dec.) (lit.)
  • Water Partition Coefficient: Slightly soluble in water.

1,2,3-Benzenetricarboxylic Acid Hydrate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

1,2,3-Benzenetricarboxylic Acid Hydrate Pricemore >>

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