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Atomfair 4-Bromo-2,6-difluorobenzotrifluoride C7H2BrF5 CAS 156243-64-0

4-Bromo-2,6-difluorobenzotrifluoride (CAS No. 156243-64-0) is a high-purity halogenated aromatic compound with the molecular formula C7H2BrF5. This specialty chemical, also known by its IUPAC name 5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene , features a benzene ring substituted with bromine, fluorine, and a trifluoromethyl group, making it a versatile building block for advanced organic synthesis. Its unique structure offers excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and as a precursor for pharmaceuticals, agrochemicals, and liquid crystal materials. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for purity (typically ≥97% by GC) and packaged under inert gas to ensure stability. Ideal for…

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Description

4-Bromo-2,6-difluorobenzotrifluoride (CAS No. 156243-64-0) is a high-purity halogenated aromatic compound with the molecular formula C7H2BrF5. This specialty chemical, also known by its IUPAC name 5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene, features a benzene ring substituted with bromine, fluorine, and a trifluoromethyl group, making it a versatile building block for advanced organic synthesis. Its unique structure offers excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and as a precursor for pharmaceuticals, agrochemicals, and liquid crystal materials. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for purity (typically ≥97% by GC) and packaged under inert gas to ensure stability. Ideal for research and industrial applications requiring precise fluorinated intermediates.

Properties

  • CAS Number: 156243-64-0
  • Complexity: 168
  • IUPAC Name: 5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene
  • InChI: InChI=1S/C7H2BrF5/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H
  • InChI Key: QPJKIRNIIXIPIE-UHFFFAOYSA-N
  • Exact Mass: 259.92600
  • Molecular Formula: C7H2BrF5
  • Molecular Weight: 260.99
  • SMILES: C1=C(C=C(C(=C1F)C(F)(F)F)F)Br
  • Monoisotopic Mass: 259.92600
  • Synonyms: 4-Bromo-2,6-difluorobenzotrifluoride, 813-168-2, 156243-64-0, 3,5-DIFLUORO-4-(TRIFLUOROMETHYL)BROMOBENZENE, 5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene, Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethyl)-, MFCD01631616, 3,5-DIFLUORO-4-TRIFLUOROMETHYLBROMOBENZENE, SCHEMBL584943, DTXSID50634278, SBB102370, 2,6-difluoro-4-bromobenzotrifluoride, AKOS005254588, AS-30443, SY106887, DB-064124, CS-0095358, 1-bromo-3,5-difluoro-4-trifluoromethylbenzene, EN300-189654

Application

4-Bromo-2,6-difluorobenzotrifluoride is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of fluorinated drug candidates. Its electron-deficient aromatic ring makes it valuable for Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. The compound also serves as a precursor for agrochemicals and specialty materials like liquid crystals, where its fluorine content enhances thermal and chemical stability. Researchers leverage its reactivity to introduce trifluoromethyl groups into complex molecules for medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

  • H227 (50%): Combustible liquid [Warning Flammable liquids]
  • 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

  • P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

  • Flam. Liq. 4 (50%)
  • 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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