2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
[CAS# 883898-97-3]

Identification

• Name: 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
• Synonyms: 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile; 2-Cyano-6-methoxyphenylboronic acid neopentyl glycol ester; 3-methoxy-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Molecular Formula: C₁₃H₁₆BNO₃
• Molecular Weight: 245.08
• CAS Registry Number: 883898-97-3
• SMILES: N#Cc2c(B1OCC(C)(C)CO1)c(OC)ccc2
• InChI: 1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)12-10(7-15)5-4-6-11(12)16-3/h4-6H,8-9H2,1-3H3
• InChIKey: KQEYALGDGSYUCE-UHFFFAOYSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 401.986°C at 760 mmHg (Cal.)
• Flash point: 196.914°C (Cal.)
• Refractive index: 1.509 (Cal.)