2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile
[CAS# 883899-03-4]

Identification

• Name: 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile
• Synonyms: 2-(trifluoromethyl)-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 2-Cyano-3-(trifluoromethyl)phenylboronic acid neopentyl glycol ester; Benzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)-
• Molecular Formula: C₁₃H₁₃BF₃NO₂
• Molecular Weight: 283.05
• CAS Registry Number: 883899-03-4
• SMILES: FC(F)(F)c2cccc(B1OCC(C)(C)CO1)c2C#N
• InChI: 1S/C13H13BF3NO2/c1-12(2)7-19-14(20-8-12)11-5-3-4-10(9(11)6-18)13(15,16)17/h3-5H,7-8H2,1-2H3
• InChIKey: DKAHRMRRZQOJPL-UHFFFAOYSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 383.389°C at 760 mmHg (Cal.)
• Flash point: 185.667°C (Cal.)
• Refractive index: 1.472 (Cal.)