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Atomfair 2-Bromodibenzothiophene C12H7BrS CAS 22439-61-8

2-Bromodibenzothiophene (CAS No. 22439-61-8) is a high-purity brominated heterocyclic compound with the molecular formula C12H7BrS . This specialized organic intermediate is widely utilized in pharmaceutical research, materials science, and organic synthesis due to its unique dibenzothiophene core structure. The compound features a bromine substituent at the 2-position, offering excellent reactivity for cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination. Our 2-Bromodibenzothiophene is synthesized under strict quality control measures, ensuring ≥98% purity (HPLC) with complete characterization via1H NMR,13C NMR, and mass spectrometry. The product is supplied as a crystalline solid with excellent shelf stability when stored at 2-8°C under inert atmosphere.…

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Description

2-Bromodibenzothiophene (CAS No. 22439-61-8) is a high-purity brominated heterocyclic compound with the molecular formula C12H7BrS. This specialized organic intermediate is widely utilized in pharmaceutical research, materials science, and organic synthesis due to its unique dibenzothiophene core structure. The compound features a bromine substituent at the 2-position, offering excellent reactivity for cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination.

Our 2-Bromodibenzothiophene is synthesized under strict quality control measures, ensuring ≥98% purity (HPLC) with complete characterization via 1H NMR, 13C NMR, and mass spectrometry. The product is supplied as a crystalline solid with excellent shelf stability when stored at 2-8°C under inert atmosphere. Ideal for developing advanced materials, OLED precursors, or bioactive molecules, this building block is packaged in amber glass vials with optional argon sealing for oxygen-sensitive applications.

Properties

  • CAS Number: 22439-61-8
  • Complexity: 218
  • IUPAC Name: 2-bromodibenzothiophene
  • InChI: InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
  • InChI Key: IJICRIUYZZESMW-UHFFFAOYSA-N
  • Exact Mass: 261.94518
  • Molecular Formula: C12H7BrS
  • Molecular Weight: 263.15
  • SMILES: C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
  • Topological: 28.2
  • Monoisotopic Mass: 261.94518
  • Synonyms: 2-Bromodibenzothiophene, DTXSID80305909, DTXCID20257039, 891-396-1, 22439-61-8, 2-Bromodibenzo[b,d]thiophene, MFCD00089285, 2-bromobenzo[b]benzo[b]thiophene, 2-bromo-dibenzothiophene, Dibenzothiophene, 2-bromo-, 2-Bromodibenzothiophene; NSC 172586, NSC172586, SCHEMBL26685, 2-bromo-dibenzo[b,d]thiophene, dibenzo[b,d]thiophene, 2-bromo-, AKOS003618271, CS-W002357, NSC-172586, SB66639, AC-27867, AS-20055, ST010099, SY029345, DB-031510, B3525, EN300-705911, 4-bromo-8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

Application

2-Bromodibenzothiophene serves as a key precursor in the synthesis of sulfur-containing polycyclic aromatic hydrocarbons (PAHs) for organic electronic materials. Researchers employ this compound in palladium-catalyzed cross-coupling reactions to construct conjugated systems for OLED and OFET applications. The bromine moiety allows precise functionalization of the dibenzothiophene scaffold in medicinal chemistry projects targeting kinase inhibitors or allosteric modulators.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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