3-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile
[CAS# 214360-45-9]

Identification

• Name: 3-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile
• Synonyms: (3-Cyanophenyl)boronic acid, neopentyl glycol ester; 2-(3-Cyanophenyl)-5,5′-dimethyl-1,3,2-dioxaborinane; 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Molecular Formula: C₁₂H₁₄BNO₂
• Molecular Weight: 215.06
• CAS Registry Number: 214360-45-9
• SMILES: CC1(C)COB(OC1)c2cccc(C#N)c2
• InChI: 1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3
• InChIKey: RTYUBKQTFNAFQC-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 350.164°C at 760 mmHg (Cal.)
• Flash point: 165.574°C (Cal.)
• Refractive index: 1.511 (Cal.)

Safety Data

• Safety Description: IRRITANT