Description

4-Chlorophenyl methyl sulfide (CAS No. 123-09-1), also known as 1-chloro-4-methylsulfanylbenzene, is a high-purity organosulfur compound with the molecular formula C₇H₇ClS. This aromatic sulfide is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its molecular weight is 158.65 g/mol, and it typically presents as a clear to pale yellow liquid with a distinctive sulfurous odor. Our product is rigorously tested to ensure ≥98% purity (GC), with stringent quality control to meet the demands of research and industrial applications. Suitable for use in cross-coupling reactions, functional group transformations, and as a building block in heterocyclic chemistry. Packaged under inert gas to ensure stability and shipped with detailed technical data, including ¹H/¹³C NMR spectra and GC-MS reports.

Properties

• CAS Number: 123-09-1
• Complexity: 77
• IUPAC Name: 1-chloro-4-methylsulfanyl-benzene
• InChI: InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
• InChI Key: KIQQUVJOLVCZKG-UHFFFAOYSA-N
• Exact Mass: 157.9956991
• Molecular Formula: C7H7ClS
• Molecular Weight: 158.65
• SMILES: CSC1=CC=C(C=C1)Cl
• Topological: 25.3
• Monoisotopic Mass: 157.9956991
• Physical Description: Colorless liquid with an unpleasant odor;
• Vapor Pressure: 0.11 [mmHg]
• Synonyms: 4-Chlorothioanisole, 123-09-1, 4-Chlorophenyl methyl sulfide, 1-CHLORO-4-(METHYLTHIO)BENZENE, p-Chlorothioanisole, Benzene, 1-chloro-4-(methylthio)-, Methyl 4-chlorophenyl sulfide, P-CHLOROPHENYL METHYL SULFIDE, p-Chlophenyl methyl sulfide, Methyl p-chlorophenyl sulfide, Sulfide, p-chlorophenyl methyl, NSC 72090, CCRIS 6731, EINECS 204-600-5, BRN 2041509, 031E43FWKK, DTXSID8023973, NSC-72090, DTXCID403973, P-(METHYLTHIO)CHLOROBENZENE, 4-METHYLTHIO-1-CHLOROBENZENE, pChlorothioanisole, 4Chlorothioanisole, Methyl pchlorophenyl sulfide, pChlorophenyl methyl sulfide, 1Chloro4(methylthio)benzene, Methyl 4chlorophenyl sulfide, Sulfide, pchlorophenyl methyl, Benzene, 1chloro4(methylthio), para-chlorophenyl methyl sulfide, 204-600-5, 1-Chloro-4-(methylsulfanyl)benzene, 1-chloro-4-methylsulfanylbenzene, (4-chlorophenyl)(methyl)sulfane, CAS-123-09-1, UNII-031E43FWKK, MFCD00013643, 4-Chlorothioanisole, 98%, SCHEMBL96393, 1-methylthio-4-chlorobenzene, 4-chloro-1-methylthiobenzene, Methyl-p-chlorophenyl sulfide, SCHEMBL316469, SCHEMBL358182, SCHEMBL1045140, SCHEMBL2556959, CHEMBL1898714, KIQQUVJOLVCZKG-UHFFFAOYSA-, (4-chloro-phenyl)-methyl-sulfide, NSC72090, STR05544, Tox21_202358, Tox21_303311, AKOS008907883, PS-4889, NCGC00164205-01, NCGC00164205-02, NCGC00256947-01, NCGC00259907-01, DB-041707, CS-0204470, NS00024006, ST50410554, D89361, Q27231568, InChI=1/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Application

4-Chlorophenyl methyl sulfide serves as a versatile reagent in medicinal chemistry for the synthesis of bioactive molecules, particularly those targeting sulfonamide and thioether functionalities. It is employed in palladium-catalyzed coupling reactions to construct complex aryl sulfide scaffolds. Researchers also utilize it as a precursor in the development of liquid crystal materials and corrosion inhibitors due to its stable aromatic-thioether linkage.

Safety and Hazards

GHS Hazard Statements

• H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.8%)

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