Description

3-Bromo-4-fluorobenzoyl chloride (CAS No. 672-75-3) is a high-purity, reactive organic intermediate widely used in pharmaceutical, agrochemical, and material science research. This compound, with the molecular formula C₇H₃BrClFO, is a versatile benzoyl chloride derivative featuring both bromo and fluoro substituents, enabling selective functionalization in synthetic applications. It is supplied as a clear to pale yellow liquid under inert conditions to ensure stability and reactivity. Ideal for nucleophilic acyl substitution reactions, this reagent is a critical building block for synthesizing amides, esters, and other carbonyl-containing compounds. Suitable for use in controlled environments by experienced researchers, it is packaged in sealed glass ampules or bottles under nitrogen to prevent degradation. Store in a cool, dry place away from moisture and incompatible substances.

Properties

• CAS Number: 672-75-3
• Complexity: 165
• IUPAC Name: 3-bromo-4-fluoro-benzoyl chloride
• InChI: InChI=1S/C7H3BrClFO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
• InChI Key: HPHZOCIBMCWXCQ-UHFFFAOYSA-N
• Exact Mass: 235.90398
• Molecular Formula: C7H3BrClFO
• Molecular Weight: 237.45
• SMILES: C1=CC(=C(C=C1C(=O)Cl)Br)F
• Topological: 17.1
• Monoisotopic Mass: 235.90398
• Synonyms: 3-Bromo-4-fluorobenzoyl chloride, 672-75-3, EINECS 211-596-9, DTXSID90217483, DTXCID90139974, 211-596-9, 3-bromo-4-fluorobenzoylchloride, Benzoyl chloride,3-bromo-4-fluoro-, 3-Bromo-4-fluoro-benzoyl chloride, MFCD04972690, SCHEMBL146573, 42SK58ALG6, SBB098838, Benzoyl chloride, 3-bromo-4-fluoro-, AKOS015962377, 3-bromo-4-fluoro-benzoic acid chloride, PS-10772, DB-022337, NS00042801, G78698

Application

3-Bromo-4-fluorobenzoyl chloride is primarily employed as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its reactive acyl chloride group facilitates the introduction of the 3-bromo-4-fluorobenzoyl moiety into target molecules, enabling the development of novel drug candidates and agrochemicals. Researchers also utilize this compound in material science for modifying polymer backbones or creating functionalized surfaces. Its halogenated aromatic structure makes it valuable in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, for constructing complex organic frameworks.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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