558001

2-Chlorothioanisole

96%

• Synonym(s): 2-Chlorophenyl methyl sulfide
• Linear Formula: ClC₆H₄SCH₃
• CAS Number: 17733-22-1
• Molecular Weight: 158.65
• MDL number: MFCD00040124
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879713
• NACRES: NA.22

Properties

• assay: 96%
• refractive index: n20/D 1.608 (lit.)
• bp: 239-240 °C (lit.)
• SMILES string: CSc1ccccc1Cl
• InChI: 1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
• InChI key: IHLDFHCSSCVPQW-UHFFFAOYSA-N

Description

General description

2-Chlorothioanisole can be prepared from the reaction between N,N-dimethylformamide, 1,2-dichlorobenzene, finely ground KOH and methyl mercaptan. Benzene dipole moment value analysis of 2-chlorothioanisole indicates that it exists predominantly in trans- form. 1H NMR spectrum of 2-chlorothioanisole has been studied in acetone-d₆ solution.

Application

2-Chlorothioanisole may be used to synthesize 2-chlorophenyl methyl sulfone.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 158.0 °F - closed cup
• flash_point_c: 70 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter