Description

2,6-Dichlorobenzenethiol (CAS No. 24966-39-0) is a high-purity aromatic thiol compound with the molecular formula C₆H₄Cl₂S. This specialized chemical features two chlorine substituents at the 2 and 6 positions of the benzene ring, making it a valuable intermediate in organic synthesis and material science applications. Available in >98% purity by GC analysis, this crystalline solid (melting point 32-36°C) is packaged under inert atmosphere to prevent oxidation. The product is particularly useful as a building block for pharmaceutical active ingredients, ligands for transition metal catalysts, and as a precursor for functionalized polymers. Care should be taken when handling due to its thiol functionality – store at 2-8°C in tightly sealed containers away from oxidizers.

Properties

• CAS Number: 24966-39-0
• Complexity: 87.1
• IUPAC Name: 2,6-dichlorobenzenethiol
• InChI: InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChI Key: JBISHCXLCGVPGW-UHFFFAOYSA-N
• Exact Mass: 177.9410767
• Molecular Formula: C6H4Cl2S
• Molecular Weight: 179.07
• SMILES: C1=CC(=C(C(=C1)Cl)S)Cl
• Topological: 1
• Monoisotopic Mass: 177.9410767
• Synonyms: 2,6-Dichlorobenzenethiol, 2,6-Dichlorothiophenol, Benzenethiol, 2,6-dichloro-, DTXSID60179680, DTXCID20102171, 416-720-7, 24966-39-0, 2,6-Dichloro thiophenol, 2,6-dichlorobenzene-1-thiol, MFCD00004833, 2,6-dichloro-benzenethiol, SCHEMBL190658, SCHEMBL1254579, SCHEMBL1802533, ZAA96639, SBB058802, AKOS000121486, s10969, AC-10713, AS-59066, DB-046592, CS-0076836, D1904, ST50826959, EN300-16603, Z56347203, F0001-0842, InChI=1/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9

2,6-Dichlorobenzenethiol serves as a key intermediate in the synthesis of agrochemicals and pharmaceutical compounds. The compound’s thiol group enables its use in creating metal-chelating ligands for catalytic systems. Researchers utilize this chemical to modify surface properties of materials through thiol-gold interactions in nanotechnology applications. In polymer chemistry, it functions as a chain transfer agent or monomer for specialty resins.

Safety and Hazards

GHS Hazard Statements

• H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Acute Tox. 4 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (25%)
• STOT SE 3 (75%)

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