Aurintricarboxylic Acid
[CAS# 4431-00-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Fatty acid
• Name: Aurintricarboxylic Acid
• Synonyms: Triammonium 5-[(3-Carboxylato-4-Hydroxy-Phenyl)-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienyl)Methyl]-2-Hydroxy-Benzoate; Triammonium 5-[(3-Carboxylato-4-Hydroxyphenyl)-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienyl)Methyl]-2-Hydroxybenzoate; Triammonium 5-[(3-Carboxylato-4-Hydroxy-Phenyl)-(3-Carboxylato-4-Keto-1-Cyclohexa-2,5-Dienyl)Methyl]-2-Hydroxy-Benzoate
• Molecular Formula: C₂₂H₂₅N₃O₉
• Molecular Weight: 475.45
• CAS Registry Number: 4431-00-9
• EINECS: 224-628-1
• SMILES: C3=C(C(C1C=C(C(=O)C=C1)C([O-])=O)C2=CC(=C(O)C=C2)C([O-])=O)C=CC(=C3C([O-])=O)O.[NH4+].[NH4+].[NH4+]
• InChI: 1S/C22H16O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-10,19,24-25H,(H,26,27)(H,28,29)(H,30,31);3*1H3
• InChIKey: UDPQMNAHKKTHHI-UHFFFAOYSA-N

Properties

• Boiling point: 761.7°C at 760 mmHg (Cal.)
• Flash point: 428.4°C (Cal.)