2-(3-Bromo-3-buten-1-yl)benzonitrile
[CAS# 731772-67-1]

Identification

• Name: 2-(3-Bromo-3-buten-1-yl)benzonitrile
• Synonyms: 2-(3-Bromobut-3-en-1-yl)benzonitrile; 2-Bromo-4-(2-cyanophenyl)-1-butene; 2-Bromo-4-(2-cyanophenyl)but-1-ene
• Molecular Formula: C₁₁H₁₀BrN
• Molecular Weight: 236.11
• CAS Registry Number: 731772-67-1
• SMILES: BrC(=C)CCc1ccccc1C#N
• InChI: 1S/C11H10BrN/c1-9(12)6-7-10-4-2-3-5-11(10)8-13/h2-5H,1,6-7H2
• InChIKey: BSSGDFZRWCQAER-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 303.166°C at 760 mmHg (Cal.)
• Flash point: 137.15°C (Cal.)
• Refractive index: 1.569 (Cal.)

Safety Data

• Safety Description: IRRITANT