Description

p-Chlorothiophenol (CAS No. 106-54-7), also known as 4-chlorobenzenethiol, is a high-purity organic compound with the molecular formula C₆H₅ClS. This aromatic thiol derivative is characterized by a chlorine substituent at the para position of the benzene ring, making it a valuable intermediate in synthetic organic chemistry. Available in crystalline or liquid form, our product is rigorously tested to ensure ≥98% purity (GC), suitable for advanced research and industrial applications. p-Chlorothiophenol is widely utilized in pharmaceuticals, agrochemicals, and material science due to its reactive thiol (-SH) group, which facilitates nucleophilic substitution and metal coordination reactions. Proper handling is required as it may emit toxic fumes under heating. Store in a cool, dry place away from oxidizers.

Properties

• CAS Number: 106-54-7
• Complexity: 66.9
• IUPAC Name: 4-chlorobenzenethiol
• InChI: InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
• InChI Key: VZXOZSQDJJNBRC-UHFFFAOYSA-N
• Exact Mass: 143.9800490
• Molecular Formula: C6H5ClS
• Molecular Weight: 144.62
• SMILES: C1=CC(=CC=C1S)Cl
• Topological: 1
• Monoisotopic Mass: 143.9800490
• Synonyms: 4-Chlorothiophenol, 106-54-7, 4-CHLOROBENZENETHIOL, p-Chlorothiophenol, Benzenethiol, 4-chloro-, p-Chlorobenzenethiol, p-Chlorthiofenol, Benzenethiol, p-chloro-, p-Chlorophenylmercaptan, 4-Chlorophenylmercaptan, p-Mercaptochlorobenzene, 1-Chloro-4-mercaptobenzene, Phenyl mercaptan, p-chloro-, p-Chlorthiofenol [Czech], NSC 18714, EINECS 203-408-9, 4-chlorophenylthiol, BRN 0605971, AI3-18024, 1O71UA6O72, NSC-18714, DTXSID3059341, 4-MERCAPTOPHENYL CHLORIDE, DTXCID0032996, 203-408-9, 4-Chloro-benzenethiol, 4-chlorobenzene-1-thiol, MFCD00004847, CHEMBL332901, 4-Chlorothiophenol(4-Chlorobenzenethiol), 4-chloro thiophenol, 4-?Chlorothiophenol(4-Chlorobenzenethiol), 4-Chloromercaptobenzene, UNII-1O71UA6O72, parachlorothiophenol, p-chloro-thiophenol, 4-chloro-thiophenol, 4-chlorothio phenol, 4-chloro benzenethiol, p-chlorophenyl mercaptan, WLN: SHR DG, 4-Chlorothiophenol, 97%, SCHEMBL48247, SCHEMBL54901, VZXOZSQDJJNBRC-UHFFFAOYSA-, NSC18714, BDBM50325572, NSC229564, STL263871, AKOS000118968, FC34417, NSC-229564, PS-5416, AC-10966, NS00023414, EN300-18299, E78837, Q27252681, Z57834219, F0001-0021, InChI=1/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H

Application

p-Chlorothiophenol serves as a key building block in the synthesis of pharmaceutical compounds, particularly in the development of sulfonamide drugs and enzyme inhibitors. It is also employed as a ligand in transition metal catalysis for cross-coupling reactions. In material science, it acts as a modifier for polymer surfaces and gold nanoparticle functionalization. Additionally, its derivatives are used in agrochemicals as intermediates for pesticides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (97%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.6%)
• Skin Corr. 1 (97%)

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