2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
[CAS# 883899-06-7]

Identification

• Name: 2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Synonyms: 2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester; 3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
• Molecular Formula: C₁₂H₁₃BClNO₂
• Molecular Weight: 249.50
• CAS Registry Number: 883899-06-7
• SMILES: Clc2cccc(B1OCC(C)(C)CO1)c2C#N
• InChI: 1S/C12H13BClNO2/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: DILJKRGCLPAOLL-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 408.965°C at 760 mmHg (Cal.)
• Flash point: 201.135°C (Cal.)
• Refractive index: 1.526 (Cal.)

Safety Data

• Safety Description: IRRITANT