Description

3-Chlorophenyl methyl sulfide (CAS No. 4867-37-2) is a high-purity organosulfur compound with the molecular formula C₇H₇ClS and IUPAC name 1-chloro-3-methylsulfanylbenzene. This versatile chemical is widely used in organic synthesis, pharmaceutical research, and material science due to its reactive sulfide and chloro functional groups. Our product is rigorously tested to ensure ≥98% purity (GC), with trace impurities minimized for sensitive applications. Supplied as a clear to pale-yellow liquid (density ~1.19 g/cm³ at 25°C), it exhibits a characteristic sulfurous odor and should be stored under inert atmosphere at 2-8°C. Ideal as a building block for heterocyclic compounds, ligand synthesis, or as a precursor for functionalized aryl sulfides. Available in research quantities (100mg to 10kg) with optional custom purification.

Properties

• CAS Number: 4867-37-2
• Complexity: 85
• IUPAC Name: 1-chloro-3-methylsulfanyl-benzene
• InChI: InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
• InChI Key: PTGSDZVASWKUHK-UHFFFAOYSA-N
• Exact Mass: 157.9956991
• Molecular Formula: C7H7ClS
• Molecular Weight: 158.65
• SMILES: CSC1=CC(=CC=C1)Cl
• Topological: 25.3
• Monoisotopic Mass: 157.9956991
• Synonyms: 3-Chlorothioanisole, 4867-37-2, 3-Chlorophenyl methyl sulfide, 3-Cpms, 1-Chloro-3-(methylthio)benzene, DTXSID50197575, Benzene, 1-chloro-3-(methylthio)-, NSC 133796, DTXCID10120066, 610-431-1, inchi=1/c7h7cls/c1-9-7-4-2-3-6(8)5-7/h2-5h,1h, 1-chloro-3-methylsulfanylbenzene, (3-chlorophenyl)(methyl)sulfane, 1-Chloro-3-(methylsulfanyl)benzene, 3-Chloro thioanisole, m-chlorothioanisole, MFCD00040127, 1-chloro-3-methylthiobenzene, m-chlorophenyl methyl sulphide, SCHEMBL1009593, SCHEMBL1145954, SCHEMBL1145956, SCHEMBL6891935, SCHEMBL7281695, SCHEMBL18860926, (3-chloro-phenyl)-methyl sulfide, NSC133796, 1-Chloro-3-(methylsulfanyl)benzene #, AKOS006222085, NSC-133796, PS-6251, AC-16433, DB-051571, C2070, CS-0194910, NS00124501, ST51036737, D89485

Application

3-Chlorophenyl methyl sulfide serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical development where the methylthio group enables further functionalization. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create complex aryl sulfide structures. It also finds application in materials science as a precursor for conductive polymers and as a ligand modifier in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (91.1%)
• Eye Irrit. 2 (91.1%)
• STOT SE 3 (88.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.