1-[(4-Chlorophenyl)Sulfonyl]-3,3-Dimethyl-2-Butanone
[CAS# 207974-06-9]

Identification

• Name: 1-[(4-Chlorophenyl)Sulfonyl]-3,3-Dimethyl-2-Butanone
• Synonyms: (4-Chlorophenylsulfonyl)pinacolone; 1-(4-Chlorobenzenesulfonyl)-3,3-dimethyl-2-butanone; 1-(4'-Chlorobenzenesulfonyl)-3,3-dimethylbutane-2
• Molecular Formula: C₁₂H₁₅ClO₃S
• Molecular Weight: 274.76
• CAS Registry Number: 207974-06-9
• SMILES: CC(C)(C)C(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl
• InChI: 1S/C12H15ClO3S/c1-12(2,3)11(14)8-17(15,16)10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3
• InChIKey: XTIUXIMZIKBBSU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 95-99°C (Expl.)
• Boiling point: 412.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 203.0±28.7°C (Cal.)
• Refractive index: 1.525 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: Irritant