Description

2-Bromobenzenethiol (CAS No. 6320-02-1) is a high-purity organosulfur compound with the molecular formula C₆H₅BrS. This versatile reagent features a bromine substituent at the ortho position of a benzenethiol scaffold, making it a valuable intermediate in organic synthesis, pharmaceuticals, and materials science. With a molecular weight of 189.07 g/mol, it is characterized by its distinct thiol functional group (-SH), which enables nucleophilic reactions, metal coordination, and disulfide formation. Ideal for researchers and industrial chemists, our 2-Bromobenzenethiol is rigorously tested for purity and stability, ensuring reliable performance in cross-coupling reactions, ligand synthesis, and heterocycle construction. Available in various quantities, this compound is packaged under inert conditions to prevent oxidation and degradation.

Properties

• CAS Number: 6320-02-1
• Complexity: 74.9
• IUPAC Name: 2-bromobenzenethiol
• InChI: InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H
• InChI Key: YUQUNWNSQDULTI-UHFFFAOYSA-N
• Exact Mass: 187.92953
• Molecular Formula: C6H5BrS
• Molecular Weight: 189.07
• SMILES: C1=CC=C(C(=C1)S)Br
• Topological: 1
• Monoisotopic Mass: 187.92953
• Synonyms: 2-Bromothiophenol, 2-Bromobenzenethiol, Benzenethiol, 2-bromo-, 2-bromobenzene-1-thiol, CD6P4XJ7FQ, 2-BROMOPHENYLTHIOL, NSC-32016, DTXSID3064229, YUQUNWNSQDULTI-UHFFFAOYSA-, EINECS 228-665-4, NSC 32016, DTXCID1043756, 228-665-4, inchi=1/c6h5brs/c7-5-3-1-2-4-6(5)8/h1-4,8h, yuqunwnsqdulti-uhfffaoysa-n, 6320-02-1, o-Bromothiophenol, o-Bromobenzenethiol, 2-Bromo-benzenethiol, Benzenethiol, o-bromo-, MFCD00004827, 2-bromo-thiophenol, NSC32016, 2-bromo-, 2-bromobenzene thiol, C6H5BrS, UNII-CD6P4XJ7FQ, 2-Bromothiophenol, 97%, SCHEMBL48430, SCHEMBL562715, CHEMBL119957, SCHEMBL10534196, BCP09623, SBB063171, AKOS009038916, AT20833, PS-4216, DB-054423, B2347, CS-0022377, NS00035359, ST51038092, EN300-15039

2-Bromobenzenethiol is widely used as a key precursor in the synthesis of sulfur-containing heterocycles, agrochemicals, and pharmaceutical intermediates. It serves as a versatile building block in palladium-catalyzed cross-coupling reactions (e.g., Suzuki-Miyaura couplings) due to its reactive bromine and thiol groups. Researchers also employ it in the preparation of metal-chelating ligands and as a modifier in polymer chemistry. Its applications extend to materials science for creating functionalized surfaces and conductive polymers.

Safety and Hazards

GHS Hazard Statements

• H301 (14.9%): Toxic if swallowed [Danger Acute toxicity, oral]
• H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (85.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (85.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (14.9%)
• Skin Corr. 1B (14.9%)
• Skin Irrit. 2 (85.1%)
• Eye Irrit. 2 (85.1%)
• STOT SE 3 (85.1%)

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