3-(Cyclopentylcarbonyl)benzonitrile
[CAS# 898791-36-1]

Identification

• Name: 3-(Cyclopentylcarbonyl)benzonitrile
• Synonyms: 3-Cyanophenyl cyclopentyl ketone; MFCD03841298
• Molecular Formula: C₁₃H₁₃NO
• Molecular Weight: 199.25
• CAS Registry Number: 898791-36-1
• SMILES: O=C(c1cc(C#N)ccc1)C2CCCC2
• InChI: 1S/C13H13NO/c14-9-10-4-3-7-12(8-10)13(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2
• InChIKey: DZSDRYMVLNIHQA-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 345.347°C at 760 mmHg (Cal.)
• Flash point: 162.66°C (Cal.)
• Refractive index: 1.557 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE