3-(3-Methyl-3-buten-1-yl)benzonitrile
[CAS# 90433-28-6]

Identification

• Name: 3-(3-Methyl-3-buten-1-yl)benzonitrile
• Synonyms: 4-(3-cyanophenyl)-2-methyl-1-butene
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.24
• CAS Registry Number: 90433-28-6
• SMILES: C/C(CCc1cccc(c1)C#N)=C
• InChI: 1S/C12H13N/c1-10(2)6-7-11-4-3-5-12(8-11)9-13/h3-5,8H,1,6-7H2,2H3
• InChIKey: KCXUVSZVSWWVGE-UHFFFAOYSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 266.587°C at 760 mmHg (Cal.)
• Flash point: 115.175°C (Cal.)