2-Phosphonobenzoic Acid
[CAS# 116277-67-9]

Identification

• Name: 2-Phosphonobenzoic Acid
• Molecular Formula: C₇H₇O₅P
• Molecular Weight: 202.10
• CAS Registry Number: 116277-67-9
• SMILES: C1=CC=C(C(=C1)C(=O)O)P(=O)(O)O
• InChI: 1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
• InChIKey: DQULYJXGTXMNTM-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 495.3±47.0°C at 760 mmHg (Cal.)
• Flash point: 253.3±29.3°C (Cal.)
• Refractive index: 1.62 (Cal.)

References

• (1): Richard Singleton, James Bye, James Dyson, Gary Baker, Robert M. Ranson and Gary B. Hix. Tailoring the photoluminescence properties of transition metal phosphonates, Dalton Trans., 2010, 39, 6024.