Benzonitrile,3-(methylsulfonyl)-

• Catalog Number: ACM22821756
• Product Name: Benzonitrile,3-(methylsulfonyl)-
• CAS: 22821-75-6
• Category: Heterocyclic Organic Compound
• Synonyms: 3-(Methylsulfonyl)benzonitrile, 22821-75-6, 3-methylsulfonylbenzonitrile, 3-methanesulfonylbenzonitrile, 3-(methylsulphonyl)benzonitrile, ZINC00154171, AC1Q4GGU, SureCN410063, AC1MC45Q, Ambpe2009060, 3-Cyanophenyl methyl sulphone, Jsp004605, CTK4F0271, Benzonitrile,3-(methylsulfonyl)-, MolPort-000-159-633, 3-(methylsulfonyl)benzenecarbonitrile, SBB089805, AKOS006227778, AG-A-53922, AG-E-65759
• IUPAC Name: 3-methylsulfonylbenzonitrile
• Molecular Weight: 223.27
• Molecular Formula: C8H7 N O2 S
• Canonical SMILES: CS(=O)(=O)C1=CC=CC(=C1)C#N
• InChI Key: VWPJXEYDYJQMBC-UHFFFAOYSA-N
• Boiling Point: 378.1ºC at 760 mmHg
• Melting Point: 48-51ºC
• Flash Point: 182.5ºC
• Density: 1.32g/cm³
• Exact Mass: 181.02000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0