(1R,2R)-1-Chloro-2-Hydroxypropane-1,2,3-Tricarboxylic Acid
[CAS# 76432-78-5]

Identification

• Name: (1R,2R)-1-Chloro-2-Hydroxypropane-1,2,3-Tricarboxylic Acid
• Synonyms: (1R,2R)-1-Chloro-2-Hydroxy-Propane-1,2,3-Tricarboxylic Acid; Chlorocitrate; Ro-21-7716
• Molecular Formula: C₆H₇ClO₇
• Molecular Weight: 226.57
• CAS Registry Number: 76432-78-5
• SMILES: [C@@](O)([C@@H](Cl)C(=O)O)(C(=O)O)CC(=O)O
• InChI: 1S/C6H7ClO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)/t3-,6-/m0/s1
• InChIKey: PLYZXLXZNMQAAU-DZSWIPIPSA-N

Properties

• Density: 1.876g/cm³ (Cal.)
• Boiling point: 300.122°C at 760 mmHg (Cal.)
• Flash point: 135.309°C (Cal.)