Atomfair 2,8-Dibromodibenzothiophene C12H6Br2S CAS 31574-87-5

Description

2,8-Dibromodibenzothiophene (CAS No. 31574-87-5) is a high-purity brominated dibenzothiophene derivative with the molecular formula C₁₂H₆Br₂S. This heterocyclic aromatic compound is widely utilized in organic synthesis, materials science, and pharmaceutical research due to its unique electronic and steric properties. The dibromination at the 2,8-positions enhances its reactivity as a building block for Suzuki coupling, Buchwald-Hartwig amination, and other cross-coupling reactions. Our product is rigorously tested via HPLC, GC-MS, and ¹H/¹³C NMR to ensure ≥98% purity, meeting the stringent requirements of advanced research applications. Supplied as a crystalline solid with documented lot-specific analytical data, it is ideal for developing organic semiconductors, ligands, or bioactive molecules.

Properties

• CAS Number: 31574-87-5
• Complexity: 222
• IUPAC Name: 2,8-dibromodibenzothiophene
• InChI: InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
• InChI Key: WNEXSUAHKVAPFK-UHFFFAOYSA-N
• Exact Mass: 341.85365
• Molecular Formula: C12H6Br2S
• Molecular Weight: 342.05
• SMILES: C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br
• Topological: 28.2
• Monoisotopic Mass: 339.85570
• Synonyms: 2,8-Dibromodibenzothiophene, 31574-87-5, DTXSID40348155, DTXCID70299227, 636-527-3, 2,8-Dibromodibenzo[b,d]thiophene, 2,8-dibromo-dibenzothiophene, Dibenzothiophene, 2,8-dibromo-, MFCD00092755, 2,8-dibromodibenzo-thiophene, SCHEMBL216673, 2,8-dibromo-dibenzo[b,d]thiophene, 2,8-Dibromodibenzo[b,d]thiophene #, AKOS002709882, CS-W009830, FD62222, SB66824, DS-17465, SY031565, DB-048071, D2245, F17320, A851190, doi:10.14272/WNEXSUAHKVAPFK-UHFFFAOYSA-N.2

Application

2,8-Dibromodibenzothiophene serves as a key precursor in synthesizing π-conjugated systems for organic electronics, including OLEDs and OFETs, due to its planar structure and bromine-mediated reactivity. Researchers employ it to construct thiophene-based ligands for transition-metal catalysts in asymmetric synthesis. In medicinal chemistry, it acts as a scaffold for developing kinase inhibitors or antimicrobial agents by functionalizing the dibenzothiophene core.

Safety and Hazards

GHS Hazard Statements

• H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]
• H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (95.2%)
• Eye Irrit. 2 (95.2%)

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