Description

1,3-Benzenedithiol (CAS No. 626-04-0) is a high-purity organic compound with the molecular formula C₆H₆S₂, widely utilized in chemical synthesis and material science research. This aromatic dithiol features two thiol functional groups positioned at the 1,3-positions of the benzene ring, making it a versatile building block for the preparation of sulfur-containing polymers, metal-organic frameworks (MOFs), and coordination complexes. Available in 95% and 99% purity grades, our product ensures exceptional consistency for sensitive applications. Ideal for researchers and scientists working in organic electronics, catalysis, and ligand design, this compound is packaged under inert conditions to maintain stability. Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 626-04-0
• Complexity: 64.9
• IUPAC Name: benzene-1,3-dithiol
• InChI: InChI=1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
• InChI Key: ZWOASCVFHSYHOB-UHFFFAOYSA-N
• Exact Mass: 141.99109254
• Molecular Formula: C6H6S2
• Molecular Weight: 142.2
• SMILES: C1=CC(=CC(=C1)S)S
• Topological: 2
• Monoisotopic Mass: 141.99109254
• Synonyms: 1,3-Benzenedithiol, 626-04-0, 1,3-Benzedithiol, zwoascvfhsyhob-uhfffaoysa-n, Benzene-1,3-dithiol, 1,3-Dimercaptobenzene, dithioresorcin, dithioresorcinol, MFCD00004842, SCHEMBL63173, 1,3-Benzenedithiol, 95%, 1,3-Benzenedithiol, 99%, SCHEMBL3670532, SCHEMBL10716990, SCHEMBL23581851, SCHEMBL23581857, DTXSID301031564, GEO-03897, AKOS007930322, AS-57008, B4371, NS00042924, ST51028411, T71141

1,3-Benzenedithiol serves as a critical precursor in the synthesis of polythiol-based polymers and conductive materials. It is commonly employed as a chelating agent for transition metals in catalysis and as a linker in porous coordination polymers. Researchers also use it to modify surfaces for enhanced adhesion in nanomaterial applications. Its reactivity with electrophiles makes it valuable in organic transformations and cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (95.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (86.7%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (11.1%)
• Acute Tox. 4 (11.1%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (95.6%)
• Acute Tox. 4 (11.1%)
• STOT SE 3 (86.7%)

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