3-Chloro-2-methylbenzonitrile

• CAS: 54454-12-5
• Catalog Number: ACM54454125
• Category: Solvents
• Molecular Weight: 151.59
• Molecular Formula: C8H6ClN
• Synonyms: 3-Chloro-2-methylbenzonitrile; Benzonitrile, 3-chloro-2-methyl-
• IUPAC Name: 3-chloro-2-methylbenzonitrile
• Canonical SMILES: CC1=C(C=CC=C1Cl)C#N
• InChI: 1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3
• InChI Key: FKFZTNLSUJCIMG-UHFFFAOYSA-N
• Boiling Point: 226.6±20.0 °C at 760 mmHg
• Melting Point: 34-36°C
• Flash Point: 87.1±16.8 °C
• Density: 1.2±0.1 g/cm³
• Assay: 0.98
• Color: Clear, pale yellow
• Exact Mass: 151.018875
• Form: Liquid
• Hazard Codes: Xi
• LogP: 2.81
• MDL Number: MFCD00045598
• PSA: 23.79
• Refractive Index: 1.553
• Vapor Pressure: 0.1±0.4 mmHg at 25°C