2-Chloro-7-sulfanyl-2,4,6-cycloheptatrien-1-one
[CAS# 855402-67-4]

Identification

• Name: 2-Chloro-7-sulfanyl-2,4,6-cycloheptatrien-1-one
• Synonyms: 2-chloro-7-mercaptocyclohepta-2,4,6-trienone
• Molecular Formula: C₇H₅ClOS
• Molecular Weight: 172.63
• CAS Registry Number: 855402-67-4
• SMILES: c1ccc(c(=O)c(c1)S)Cl
• InChI: 1S/C7H5ClOS/c8-5-3-1-2-4-6(10)7(5)9/h1-4H,(H,9,10)
• InChIKey: GKCAFNFYYMPCAZ-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 277.355°C at 760 mmHg (Cal.)
• Flash point: 121.54°C (Cal.)
• Refractive index: 1.609 (Cal.)