2-Chloro-6-Methylbenzenethiol
[CAS# 18858-05-4]

Identification

• Name: 2-Chloro-6-Methylbenzenethiol
• Synonyms: 6-chloro-2-methylbenzene-1-thiol; 6-chloro-o-Toluenethiol
• Molecular Formula: C₇H₇ClS
• Molecular Weight: 158.65
• CAS Registry Number: 18858-05-4
• SMILES: CC1=C(C(=CC=C1)Cl)S
• InChI: 1S/C7H7ClS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
• InChIKey: WNRLJMYSWRBJIG-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 135-136°C (Expl.)
• Boiling point: 229.9±20.0°C at 760 mmHg (Cal.)
• Flash point: 89.8±21.2°C (Cal.)
• Refractive index: 1.593 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed