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Atomfair 4-Bromobenzoyl fluoride C7H4BrFO CAS 72398-40-4

4-Bromobenzoyl fluoride (CAS No. 72398-40-4) is a high-purity aromatic fluorinated compound with the molecular formula C7H4BrFO . This organofluorine reagent is widely utilized in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. The compound features a reactive benzoyl fluoride moiety ( -COF ) at the para position relative to a bromine substituent, enabling selective nucleophilic substitution or cross-coupling reactions (e.g., Suzuki, Stille). Supplied as a clear to pale-yellow liquid with ≥95% purity (GC), it is packaged under inert gas to ensure stability. Compatible with anhydrous solvents like THF and DCM, this product is ideal for…

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Description

4-Bromobenzoyl fluoride (CAS No. 72398-40-4) is a high-purity aromatic fluorinated compound with the molecular formula C7H4BrFO. This organofluorine reagent is widely utilized in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. The compound features a reactive benzoyl fluoride moiety (-COF) at the para position relative to a bromine substituent, enabling selective nucleophilic substitution or cross-coupling reactions (e.g., Suzuki, Stille). Supplied as a clear to pale-yellow liquid with ≥95% purity (GC), it is packaged under inert gas to ensure stability. Compatible with anhydrous solvents like THF and DCM, this product is ideal for researchers developing fluorinated aromatic scaffolds or studying reaction mechanisms involving acyl fluorides.

Key Specifications:
• CAS: 72398-40-4
• MW: 203.01 g/mol
• Boiling Point: ~210°C (lit.)
• Density: ~1.6 g/cm3
• Storage: 2-8°C under argon
• Hazard Codes: C (Corrosive)

Properties

  • CAS Number: 72398-40-4
  • Complexity: 130
  • IUPAC Name: 4-bromobenzoyl fluoride
  • InChI: InChI=1S/C7H4BrFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
  • InChI Key: SPKVPJFPBBPGDP-UHFFFAOYSA-N
  • Exact Mass: 201.94296
  • Molecular Formula: C7H4BrFO
  • Molecular Weight: 203.01
  • SMILES: C1=CC(=CC=C1C(=O)F)Br
  • Topological: 17.1
  • Monoisotopic Mass: 201.94296
  • Synonyms: 4-bromobenzoyl fluoride, 72398-40-4, DTXSID70631365, DTXCID80582117, 989-350-1, Benzoyl fluoride,4-bromo-, Benzoyl fluoride, 4-bromo-, 4-bromobenzoylfluoride, 4-BROMO-BENZOYL FLUORIDE, SCHEMBL22386370, XCA39840, MFCD13174482, HS-3428, DB-286060, CS-0436823, G55732, EN300-2265710

Application

4-Bromobenzoyl fluoride serves as a versatile building block in medicinal chemistry for introducing fluorinated benzoyl groups via nucleophilic aromatic substitution or transition-metal catalyzed reactions. It is particularly valuable in synthesizing PET radiotracers due to the 18F-labeling potential of the acyl fluoride group. Researchers also employ this compound in materials science to create liquid crystals and polymers with enhanced thermal stability. The bromine substituent enables further functionalization through cross-coupling methodologies.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Corr. 1B (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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