4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
[CAS# 883898-93-9]

Identification

• Name: 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Synonyms: 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 5-Chloro-2-cyanophenylboronic acid neopentyl glycol ester; MFCD08669559
• Molecular Formula: C₁₂H₁₃BClNO₂
• Molecular Weight: 249.50
• CAS Registry Number: 883898-93-9
• SMILES: Clc2cc(B1OCC(C)(C)CO1)c(C#N)cc2
• InChI: 1S/C12H13BClNO2/c1-12(2)7-16-13(17-8-12)11-5-10(14)4-3-9(11)6-15/h3-5H,7-8H2,1-2H3
• InChIKey: JUJHSJFBHCQGCU-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 394.981°C at 760 mmHg (Cal.)
• Flash point: 192.678°C (Cal.)
• Refractive index: 1.526 (Cal.)