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Atomfair 4-Chlorobenzyl mercaptan C7H7ClS CAS 6258-66-8

4-Chlorobenzyl mercaptan (CAS No. 6258-66-8) is a high-purity organosulfur compound with the molecular formula C7H7ClS . This specialized chemical features a chlorinated benzene ring with a mercaptan (-SH) functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 158.65 g/mol, it exhibits excellent reactivity in nucleophilic substitution, thiol-ene click chemistry, and metal-catalyzed coupling reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed amber vials under inert atmosphere to prevent oxidation. Ideal for use in peptide modification, ligand synthesis, and as a building block for agrochemicals,…

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Description

4-Chlorobenzyl mercaptan (CAS No. 6258-66-8) is a high-purity organosulfur compound with the molecular formula C7H7ClS. This specialized chemical features a chlorinated benzene ring with a mercaptan (-SH) functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 158.65 g/mol, it exhibits excellent reactivity in nucleophilic substitution, thiol-ene click chemistry, and metal-catalyzed coupling reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed amber vials under inert atmosphere to prevent oxidation. Ideal for use in peptide modification, ligand synthesis, and as a building block for agrochemicals, dyes, and liquid crystal materials. Store at 2-8°C in a dry, well-ventilated area away from oxidizers.

Properties

  • CAS Number: 6258-66-8
  • Complexity: 77
  • IUPAC Name: (4-chlorophenyl)methanethiol
  • InChI: InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
  • InChI Key: GKQXPTHQTXCXEV-UHFFFAOYSA-N
  • Exact Mass: 157.9956991
  • Molecular Formula: C7H7ClS
  • Molecular Weight: 158.65
  • SMILES: C1=CC(=CC=C1CS)Cl
  • Topological: 1
  • Monoisotopic Mass: 157.9956991
  • Synonyms: 4-Chlorobenzyl mercaptan, 6258-66-8, 4-Chlorobenzenemethanethiol, 4-Chlorobenzylmercaptan, (4-Chlorophenyl)methanethiol, Benzenemethanethiol, 4-chloro-, p-Chlorobenzyl mercaptan, p-Chlorotoluene-alpha-thiol, CHEMBL1224555, 4-Chloro benzyl mercaptan, C7H7ClS, EINECS 228-395-7, 4-chlorobenzyl thiol, MFCD00004870, NSC 108735, p-chlorobenzylmercaptan, 4-chloro-benzylmercaptan, 4-chlorophenylmethanethiol, 4-chlorophenyl methanethiol, 4-chloro-alpha-toluenethiol, (4-Chlorophenyl)-methanethiol, SCHEMBL307617, SCHEMBL307618, (4-Chloro-phenyl)-methanethiol, (4-Chlorophenyl)methanethiol #, DTXSID00211619, 4-Chlorobenzenemethanethiol, 98%, GAA25866, STR02043, BDBM50325564, NSC108735, AKOS000119503, NSC-108735, AC-10961, PD182124, CS-0235904, NS00035080, EN300-16493, D89283, A833868, Z55948216

4-Chlorobenzyl mercaptan serves as a key precursor in synthesizing pharmaceutical intermediates, particularly for antithyroid and antiviral agents. Its thiol group enables efficient conjugation with maleimides and haloacetamides in bioconjugation workflows. Researchers utilize this compound to develop novel organosulfur ligands for transition metal catalysis in cross-coupling reactions. In materials science, it functions as a chain transfer agent in controlled radical polymerization systems.

Safety and Hazards

GHS Hazard Statements

  • H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H331 (18.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]
  • H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (16.7%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • Acute Tox. 3 (18.8%)
  • STOT SE 3 (97.9%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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