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Atomfair 1,3-Dibromo-2-chloro-5-fluorobenzene C6H2Br2ClF CAS 179897-90-6

1,3-Dibromo-2-chloro-5-fluorobenzene (CAS No. 179897-90-6) is a high-purity halogenated benzene derivative with the molecular formula C6H2Br2ClF . This compound is characterized by its unique substitution pattern, featuring bromine at the 1 and 3 positions, chlorine at the 2 position, and fluorine at the 5 position on the benzene ring. It is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for research and industrial applications. Proper handling under inert conditions is recommended due to its halogen-rich structure.

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Description

1,3-Dibromo-2-chloro-5-fluorobenzene (CAS No. 179897-90-6) is a high-purity halogenated benzene derivative with the molecular formula C6H2Br2ClF. This compound is characterized by its unique substitution pattern, featuring bromine at the 1 and 3 positions, chlorine at the 2 position, and fluorine at the 5 position on the benzene ring. It is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for research and industrial applications. Proper handling under inert conditions is recommended due to its halogen-rich structure.

Properties

  • CAS Number: 179897-90-6
  • Complexity: 110
  • IUPAC Name: 1,3-dibromo-2-chloro-5-fluoro-benzene
  • InChI: InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
  • InChI Key: PZKDJJMHRYNBOR-UHFFFAOYSA-N
  • Exact Mass: 287.81753
  • Molecular Formula: C6H2Br2ClF
  • Molecular Weight: 288.34
  • SMILES: C1=C(C=C(C(=C1Br)Cl)Br)F
  • Monoisotopic Mass: 285.81958
  • Synonyms: 1,3-dibromo-2-chloro-5-fluorobenzene, 179897-90-6, DTXSID40369183, DTXCID40320219, 605-874-2, 1-Chloro-2,6-dibromo-4-fluorobenzene, Benzene, 1,3-dibromo-2-chloro-5-fluoro-, 2,6-dibromo-4-fluorochlorobenzene, MFCD00061122, 2,6-DIBROMO-1-CHLORO-4-FLUOROBENZENE, 1,3-dibromo-2-chloro-5-fluoro-benzene, 2-chloro-1,3-dibromo-5-fluorobenzene, 4-chloro-3,5-dibromo-1-fluorobenzene, SCHEMBL1494504, AKOS000121390, 2,6-dibromo-4-fluoro-1-chlorobenzene, CS-W012207, AS-10681, SY023231, DB-044380, ST50405502, EN300-21132, Z104492510

Application

1,3-Dibromo-2-chloro-5-fluorobenzene serves as a versatile building block in Suzuki coupling and other cross-coupling reactions for synthesizing complex aromatic systems. It is used in pharmaceutical research for the development of fluorinated drug candidates, leveraging its halogenated structure for selective functionalization. The compound also finds application in material science for creating halogenated polymers with enhanced thermal stability.

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).

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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.

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  • 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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