2-[(E)-2-(4-Methylphenyl)vinyl]-1,3,6,2-dioxazaborocane
[CAS# 608534-31-2]

Identification

• Name: 2-[(E)-2-(4-Methylphenyl)vinyl]-1,3,6,2-dioxazaborocane
• Synonyms: 2-[(1E)-2-(4-methylphenyl)vinyl]-1,3,6,2-dioxazaboraperhydroocine; 4-Methyl-¦Â-styrylboronic acid diethanolamine ester; 4-METHYL-Î’-STYRYLBORONIC ACID DIETHANOLAMINE ESTER
• Molecular Formula: C₁₃H₁₈BNO₂
• Molecular Weight: 231.10
• CAS Registry Number: 608534-31-2
• SMILES: B1(OCCNCCO1)/C=C/C2=CC=C(C=C2)C
• InChI: 1S/C13H18BNO2/c1-12-2-4-13(5-3-12)6-7-14-16-10-8-15-9-11-17-14/h2-7,15H,8-11H2,1H3/b7-6+
• InChIKey: CPKXHEJAUDGMRT-VOTSOKGWSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 205-213°C (Expl.)
• Boiling point: 328.5±52.0°C at 760 mmHg (Cal.)
• Flash point: 152.5±30.7°C (Cal.)
• Refractive index: 1.523 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT