Description

3-Bromo-4-fluorobenzyl Bromide (CAS No. 78239-71-1) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅Br₂F. This reagent is characterized by its two reactive bromine substituents and a fluorine atom, making it a versatile intermediate in synthetic organic chemistry. Its IUPAC name, 2-bromo-4-(bromomethyl)-1-fluorobenzene, reflects its precise structural configuration. The compound is supplied as a crystalline solid or solution, with strict quality control to ensure consistency in reactivity and purity (typically >95% by GC/HPLC). Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for pharmaceuticals, agrochemicals, and materials science applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 78239-71-1
• Complexity: 108
• IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluoro-benzene
• InChI: InChI=1S/C7H5Br2F/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2
• InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N
• Exact Mass: 267.87215
• Molecular Formula: C7H5Br2F
• Molecular Weight: 267.92
• SMILES: C1=CC(=C(C=C1CBr)Br)F
• Monoisotopic Mass: 265.87420
• Synonyms: 3-bromo-4-fluorobenzyl bromide, 78239-71-1, 678-220-7, 2-bromo-4-(bromomethyl)-1-fluorobenzene, 3-Bromo-4-fluorobenzylbromide, MFCD09037367, 2-bromo-4-bromomethyl-1-fluorobenzene, 2-bromanyl-4-(bromomethyl)-1-fluoranyl-benzene, Benzene, 2-bromo-4-(bromomethyl)-1-fluoro-, SCHEMBL333551, 3-bromo-4-fluoro-benzyl bromide, ZRWSODQPUJMFRV-UHFFFAOYSA-N, SBB070908, AKOS005256304, AS-38672, SY021845, DB-023716, B2975, EN300-29545, A805701, A839374

Application

3-Bromo-4-fluorobenzyl Bromide is widely used as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to introduce fluorinated aryl motifs. It serves as a precursor for pharmaceutical intermediates, particularly in the synthesis of kinase inhibitors and PET radiotracers. The compound’s dual bromine functionality also enables sequential functionalization for complex molecule assembly.

Safety and Hazards

GHS Hazard Statements

• H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (100%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (100%)

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