(4-{[2-(Trifluoromethyl)phenyl]carbamoyl}phenyl)boronic acid
[CAS# 913835-42-4]

Identification

• Name: (4-{[2-(Trifluoromethyl)phenyl]carbamoyl}phenyl)boronic acid
• Synonyms: (4-((2-(Trifluoromethyl)phenyl)carbamoyl)phenyl)boronic acid; (4-((2-(Trifluoromethyl)phenyl)-carbamoyl)phenyl)boronic acid; 4-(2-Trifluoromethylphenylaminocarbonyl)phenylboronic acid
• Molecular Formula: C₁₄H₁₁BF₃NO₃
• Molecular Weight: 309.05
• CAS Registry Number: 913835-42-4
• SMILES: B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)(O)O
• InChI: 1S/C14H11BF3NO3/c16-14(17,18)11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)15(21)22/h1-8,21-22H,(H,19,20)
• InChIKey: GMSZJSZMTXJQRP-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 242-245°C (Expl.)
• Refractive index: 1.564 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin