Description

3-Bromothiophene (CAS No. 872-31-1) is a high-purity brominated heterocyclic compound with the molecular formula C₄H₃BrS. This organosulfur reagent is a valuable building block in organic synthesis, particularly in the preparation of thiophene-based derivatives for pharmaceuticals, agrochemicals, and materials science. The compound features a bromine substituent at the 3-position of the thiophene ring, enabling efficient cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Our product is rigorously tested to ensure superior quality, with ≥98% purity (GC), and is supplied in moisture-resistant packaging to maintain stability. Ideal for researchers developing conjugated polymers, organic electronics, or bioactive molecules, 3-Bromothiophene offers exceptional reactivity in palladium-catalyzed transformations and electrophilic substitutions.

Properties

• CAS Number: 872-31-1
• Complexity: 46.8
• IUPAC Name: 3-bromothiophene
• InChI: InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
• InChI Key: XCMISAPCWHTVNG-UHFFFAOYSA-N
• Exact Mass: 161.91388
• Molecular Formula: C4H3BrS
• Molecular Weight: 163.04
• SMILES: C1=CSC=C1Br
• Topological: 28.2
• Monoisotopic Mass: 161.91388
• Synonyms: 3-BROMOTHIOPHENE, 3-Thienyl bromide, Thiophene, 3-bromo-, 3-Bromothiofuran, beta-Bromothiophene, .beta.-Bromothiophene, EINECS 212-821-3, NSC 96612, G818Z74YV0, NSC-96612, UNII-G818Z74YV0, DTXSID2022129, DTXCID602129, 212-821-3, inchi=1/c4h3brs/c5-4-1-2-6-3-4/h1-3, xcmisapcwhtvng-uhfffaoysa-n, 872-31-1, 3-bromo-thiophene, MFCD00005464, 3-BROMO THIOPHENE, 3-bromothiphene, 3-bromthiophene, NSC96612, 3-Bromothiophene, 97%, SCHEMBL3339, SCHEMBL7276, SCHEMBL27442, BIDD:GT0802, SCHEMBL195851, SCHEMBL8210540, SBB003930, AKOS005257789, AC-4899, CS-W009226, FB15221, PB48063, PS-5773, HY-59299, DB-006386, B1067, NS00039176, ST50406234, EN300-36196, P20051, Q927001, F0001-2168, ; 3-Bromothiophene; 3-Thienyl bromide; NSC 96612; beta-Bromothiophene; 3-Bromothiphene, 84928-93-8

Application

3-Bromothiophene serves as a versatile intermediate in the synthesis of π-conjugated systems for organic semiconductors and OLED materials. It is widely used in pharmaceutical research to construct thiophene-containing drug candidates targeting CNS disorders and inflammation. The compound also finds utility in agrochemical production and as a ligand precursor in catalytic applications.

Safety and Hazards

GHS Hazard Statements

• H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral]
• H310+H330 (44.6%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation]
• H310 (92.4%): Fatal in contact with skin [Danger Acute toxicity, dermal]
• H315 (51.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (47.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (98.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (89.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H335 (94.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (98.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (95.7%)
• Acute Tox. 3 (98.9%)
• Acute Tox. 2 (92.4%)
• Skin Irrit. 2 (51.1%)
• Skin Sens. 1 (47.8%)
• Eye Irrit. 2 (98.9%)
• Acute Tox. 1 (89.1%)
• STOT SE 3 (94.6%)
• Aquatic Chronic 2 (98.9%)

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