2-Bromo-4-(dihydroxyboryl)-5-fluorobenzoic acid
[CAS# 957034-89-8]

Identification

• Name: 2-Bromo-4-(dihydroxyboryl)-5-fluorobenzoic acid
• Synonyms: 4-Borono-2-bromo-5-fluorobenzoic acid; 4-Borono-2-bromo-5-fluoro-benzoic acid; 5-Bromo-4-carboxy-2-fluorobenzeneboronic acid
• Molecular Formula: C₇H₅BBrFO₄
• Molecular Weight: 262.83
• CAS Registry Number: 957034-89-8
• SMILES: B(c1cc(c(cc1F)C(=O)O)Br)(O)O
• InChI: 1S/C7H5BBrFO4/c9-5-2-4(8(13)14)6(10)1-3(5)7(11)12/h1-2,13-14H,(H,11,12)
• InChIKey: YPNMKBPQTGVYEQ-UHFFFAOYSA-N

Properties

• Density: 1.936g/cm³ (Cal.)
• Boiling point: 432.399°C at 760 mmHg (Cal.)
• Flash point: 215.307°C (Cal.)
• Refractive index: 1.615 (Cal.)

Safety Data

• Safety Description: Irritant