benzoic acid anion
[CAS# 766-76-7]

Identification

• Name: benzoic acid anion
• Synonyms: Benzoate Ion; Benzoic Acid, Ion(1-); Benzoic Acid Anion
• Molecular Formula: C₇H₅O₂
• Molecular Weight: 121.12
• CAS Registry Number: 766-76-7
• SMILES: C1=C(C([O-])=O)C=CC=C1
• InChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
• InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-M

Properties

• Boiling point: 249.251°C at 760 mmHg (Cal.)
• Flash point: 111.394°C (Cal.)

References

• (1): D. R. Boyd, N. D. Sharma, L. Sbircea, D. Murphy, J. F. Malone, S. L. James, C. C. R. Allen and J. T. G. Hamilton. Chemoenzymatic synthesis of chiral 2,2′-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes, Org. Biomol. Chem., 2010, 8, 1081.