2-[(E)-2-Phenylvinyl]-1,3,6,2-Dioxazaborocane
[CAS# 411222-52-1]

Identification

• Name: 2-[(E)-2-Phenylvinyl]-1,3,6,2-Dioxazaborocane
• Synonyms: ¦Â-Styrylboronic acid diethanolamine ester; 2-((1E)-2-phenylvinyl)-1,3,6,2-dioxazaboraperhydroocine; Î’-STYRYLBORONIC ACID DIETHANOLAMINE ESTER
• Molecular Formula: C₁₂H₁₆BNO₂
• Molecular Weight: 217.07
• CAS Registry Number: 411222-52-1
• SMILES: B1(OCCNCCO1)/C=C/C2=CC=CC=C2
• InChI: 1S/C12H16BNO2/c1-2-4-12(5-3-1)6-7-13-15-10-8-14-9-11-16-13/h1-7,14H,8-11H2/b7-6+
• InChIKey: FYJQNZMVWCSWMH-VOTSOKGWSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 196-198°C (Expl.)
• Boiling point: 309.6±52.0°C at 760 mmHg (Cal.)
• Flash point: 141.0±30.7°C (Cal.)
• Refractive index: 1.525 (Cal.)

Safety Data

• Safety Code: S26;S36
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT