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Atomfair 4-Bromo-2,6-difluorobenzoyl chloride C7H2BrClF2O CAS 497181-19-8

4-Bromo-2,6-difluorobenzoyl chloride (CAS No. 497181-19-8) is a highly reactive and versatile benzoyl chloride derivative with the molecular formula C7H2BrClF2O. This compound features a bromo and two fluoro substituents on the benzene ring, enhancing its electrophilic properties and making it an excellent intermediate for nucleophilic aromatic substitution reactions. With a purity of ≥95% (GC), it is supplied as a clear to pale yellow liquid under inert conditions to prevent hydrolysis. Ideal for pharmaceutical, agrochemical, and material science research, this reagent is particularly valuable in the synthesis of active pharmaceutical ingredients (APIs), liquid crystals, and advanced organic frameworks. Proper handling under anhydrous…

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Description

4-Bromo-2,6-difluorobenzoyl chloride (CAS No. 497181-19-8) is a highly reactive and versatile benzoyl chloride derivative with the molecular formula C7H2BrClF2O. This compound features a bromo and two fluoro substituents on the benzene ring, enhancing its electrophilic properties and making it an excellent intermediate for nucleophilic aromatic substitution reactions. With a purity of ≥95% (GC), it is supplied as a clear to pale yellow liquid under inert conditions to prevent hydrolysis. Ideal for pharmaceutical, agrochemical, and material science research, this reagent is particularly valuable in the synthesis of active pharmaceutical ingredients (APIs), liquid crystals, and advanced organic frameworks. Proper handling under anhydrous conditions and storage at 2-8°C is recommended to maintain stability.

Properties

  • CAS Number: 497181-19-8
  • Complexity: 178
  • IUPAC Name: 4-bromo-2,6-difluoro-benzoyl chloride
  • InChI: InChI=1S/C7H2BrClF2O/c8-3-1-4(10)6(7(9)12)5(11)2-3/h1-2H
  • InChI Key: PURKKPCKWDOWLC-UHFFFAOYSA-N
  • Exact Mass: 253.89456
  • Molecular Formula: C7H2BrClF2O
  • Molecular Weight: 255.44
  • SMILES: C1=C(C=C(C(=C1F)C(=O)Cl)F)Br
  • Topological: 17.1
  • Monoisotopic Mass: 253.89456
  • Synonyms: 4-bromo-2,6-difluorobenzoyl chloride, 497181-19-8, DTXSID00378352, DTXCID50329379, 803-879-6, 4-Bromo-2,6-difluoro-benzoyl chloride, MFCD03094086, SCHEMBL1085223, PURKKPCKWDOWLC-UHFFFAOYSA-N, 4-bromo-2,6-difluorobenzoylchloride, SBB101623, AKOS023118474, PS-10687, DB-218766

Application

4-Bromo-2,6-difluorobenzoyl chloride is widely used as a key building block in organic synthesis, particularly for introducing bromo- and difluoro-substituted benzoyl groups into target molecules. It serves as a precursor for pharmaceuticals, agrochemicals, and specialty materials due to its reactivity in acylations and cross-coupling reactions. Researchers leverage its electrophilic aromatic substitution properties to develop novel compounds with tailored electronic and steric properties. Its applications extend to the synthesis of liquid crystals and ligands for catalysis.

Safety and Hazards

GHS Hazard Statements

  • H301 (79.2%): Toxic if swallowed [Danger Acute toxicity, oral]
  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
  • H318 (20.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H335 (20.8%): 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+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 3 (79.2%)
  • Skin Corr. 1B (100%)
  • Eye Dam. 1 (20.8%)
  • STOT SE 3 (20.8%)

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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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