2-Bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
[CAS# 883899-07-8]

Identification

• Name: 2-Bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Synonyms: 2-bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 3-Bromo-2-cyanobenzeneboronic acid neopentyl glycol ester; 3-Bromo-2-cyanophenylboronic acid neopentyl glycol ester
• Molecular Formula: C₁₂H₁₃BBrNO₂
• Molecular Weight: 293.95
• CAS Registry Number: 883899-07-8
• SMILES: Brc2cccc(B1OCC(C)(C)CO1)c2C#N
• InChI: 1S/C12H13BBrNO2/c1-12(2)7-16-13(17-8-12)10-4-3-5-11(14)9(10)6-15/h3-5H,7-8H2,1-2H3
• InChIKey: CULSSICMSNLRST-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 425.934°C at 760 mmHg (Cal.)
• Flash point: 211.398°C (Cal.)
• Refractive index: 1.549 (Cal.)

Safety Data

• Safety Description: Irritant