2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile
[CAS# 883899-02-3]

Identification

• Name: 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile
• Synonyms: 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile; 2-Cyano-3-methoxyphenylboronic acid neopentyl glycol ester; 2-methoxy-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Molecular Formula: C₁₃H₁₆BNO₃
• Molecular Weight: 245.08
• CAS Registry Number: 883899-02-3
• SMILES: N#Cc2c(B1OCC(C)(C)CO1)cccc2OC
• InChI: 1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)11-5-4-6-12(16-3)10(11)7-15/h4-6H,8-9H2,1-3H3
• InChIKey: RSLUOIPQHDWWMU-UHFFFAOYSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 418.137°C at 760 mmHg (Cal.)
• Flash point: 206.682°C (Cal.)
• Refractive index: 1.509 (Cal.)