{3-[(4-Methoxybenzyl)oxy]-5-(trifluoromethyl)phenyl}boronic acid
[CAS# 913835-77-5]

Identification

• Name: {3-[(4-Methoxybenzyl)oxy]-5-(trifluoromethyl)phenyl}boronic acid
• Synonyms: (3-((4-Methoxybenzyl)oxy)-5-(trifluoromethyl)phenyl)boronic acid; (3-((4-Methoxybenzyl)oxy)-5-(trifluoromethyl)-phenyl)boronic acid; 3-(4-Methoxy)benzyloxy-5-(trifluoromethyl)benzeneboronic acid
• Molecular Formula: C₁₅H₁₄BF₃O₄
• Molecular Weight: 326.08
• CAS Registry Number: 913835-77-5
• SMILES: B(C1=CC(=CC(=C1)OCC2=CC=C(C=C2)OC)C(F)(F)F)(O)O
• InChI: 1S/C15H14BF3O4/c1-22-13-4-2-10(3-5-13)9-23-14-7-11(15(17,18)19)6-12(8-14)16(20)21/h2-8,20-21H,9H2,1H3
• InChIKey: PONOBGDQRZFFPE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 464.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 234.5±31.5°C (Cal.)
• Refractive index: 1.536 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT