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Atomfair 3,5-Dichlorobenzenethiol C6H4Cl2S CAS 17231-94-6

3,5-Dichlorobenzenethiol (CAS No. 17231-94-6) is a high-purity organosulfur compound with the molecular formula C6H4Cl2S . This aromatic thiol derivative features two chlorine substituents at the 3- and 5-positions of the benzene ring, offering unique reactivity for nucleophilic and metal-coordination chemistry. The compound is supplied as a clear to pale yellow liquid or low-melting solid with a characteristic thiol odor. With >95% purity by GC analysis, it is ideal for use as a building block in pharmaceutical intermediates, agrochemical synthesis, and materials science applications. Proper handling under inert atmosphere is recommended due to air sensitivity. Packaged in amber glass bottles with…

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Description

3,5-Dichlorobenzenethiol (CAS No. 17231-94-6) is a high-purity organosulfur compound with the molecular formula C6H4Cl2S. This aromatic thiol derivative features two chlorine substituents at the 3- and 5-positions of the benzene ring, offering unique reactivity for nucleophilic and metal-coordination chemistry. The compound is supplied as a clear to pale yellow liquid or low-melting solid with a characteristic thiol odor. With >95% purity by GC analysis, it is ideal for use as a building block in pharmaceutical intermediates, agrochemical synthesis, and materials science applications. Proper handling under inert atmosphere is recommended due to air sensitivity. Packaged in amber glass bottles with secure closures to ensure stability.

Key Specifications:
– CAS: 17231-94-6
– Molecular Weight: 179.07 g/mol
– Purity: ≥95% (GC)
– Storage: 2-8°C under inert gas
– Hazard Codes: C (Corrosive)

Properties

  • CAS Number: 17231-94-6
  • Complexity: 87.1
  • IUPAC Name: 3,5-dichlorobenzenethiol
  • InChI: InChI=1S/C6H4Cl2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
  • InChI Key: WRXIPCQPHZMXOO-UHFFFAOYSA-N
  • Exact Mass: 177.9410767
  • Molecular Formula: C6H4Cl2S
  • Molecular Weight: 179.07
  • SMILES: C1=C(C=C(C=C1Cl)Cl)S
  • Topological: 1
  • Monoisotopic Mass: 177.9410767
  • Synonyms: 17231-94-6, 3,5-Dichlorobenzenethiol, 3,5-dichlorobenzene-1-thiol, DTXSID40371125, DTXCID60322159, 625-133-7, 3,5-Dichlorothiophenol, 3,5-Dichloro thiophenol, MFCD00041423, Benzenethiol, 3,5-dichloro-, 3,5-dichloro-thiophenol, 3,5-dichloro-benzenethiol, SCHEMBL441794, SCHEMBL1804222, 3,5-Dichlorobenzenethiol, 97%, SAA23194, BBL100273, SBB058939, STL497387, AKOS005254598, LS-13115, DB-043892, CS-0149452, D1905, ST51041409, EN300-83295, D89941

Application

3,5-Dichlorobenzenethiol serves as a versatile intermediate in organic synthesis, particularly for constructing sulfur-containing heterocycles in pharmaceutical development. The compound’s reactive thiol group enables efficient formation of disulfide bonds in peptide chemistry and polymer crosslinking applications. Researchers utilize its dichlorinated aromatic structure for creating ligands in catalytic systems and functionalized materials with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

  • H302 (15.2%): 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]
  • H335 (97.8%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (15.2%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (97.8%)

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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.

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  • 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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