2-[2-(Bromomethyl)Phenyl]-5,5-Dimethyl-1,3,2-Dioxaborinane
[CAS# 166821-88-1]

Identification

• Name: 2-[2-(Bromomethyl)Phenyl]-5,5-Dimethyl-1,3,2-Dioxaborinane
• Synonyms: (2-Bromomethylphenyl)boronic acid neopentyl glycol ester; 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane; 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzyl bromide
• Molecular Formula: C₁₂H₁₆BBrO₂
• Molecular Weight: 282.97
• CAS Registry Number: 166821-88-1
• SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2CBr
• InChI: 1S/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-6H,7-9H2,1-2H3
• InChIKey: KPXRRKYYMYMEKC-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 368.6±25.0°C at 760 mmHg (Cal.)
• Flash point: 176.7±23.2°C (Cal.)
• Refractive index: 1.529 (Cal.)

Safety Data

• Safety Description: Irritant