Description

3,5-Difluorobenzyl bromide (CAS 141776-91-2) is a high-purity aromatic bromide compound with the molecular formula C₇H₅BrF₂. This organofluorine building block features a reactive benzyl bromide group flanked by two fluorine atoms at the 3- and 5-positions, making it an excellent electrophile for nucleophilic substitution reactions. The compound is supplied as a clear to pale yellow liquid with typical purity >95% (GC), packaged under inert gas to prevent degradation. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science applications requiring selective fluorination. Proper storage at 2-8°C in amber vials is recommended to maintain stability. Hazard classification includes skin/eye irritant and moisture-sensitive properties – handle with appropriate PPE in a fume hood.

Properties

• CAS Number: 141776-91-2
• Complexity: 97.8
• IUPAC Name: 1-(bromomethyl)-3,5-difluoro-benzene
• InChI: InChI=1S/C7H5BrF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
• InChI Key: KVSVNRFSKRFPIL-UHFFFAOYSA-N
• Exact Mass: 205.95427
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.01
• SMILES: C1=C(C=C(C=C1F)F)CBr
• Monoisotopic Mass: 205.95427
• Synonyms: 3,5-Difluorobenzyl bromide, 141776-91-2, DTXSID40333844, DTXCID50284934, 627-819-1, kvsvnrfskrfpil-uhfffaoysa-n, 1-(Bromomethyl)-3,5-difluorobenzene, 3,5-difluorobenzylbromide, Benzene, 1-(bromomethyl)-3,5-difluoro-, MFCD00010304, alpha-Bromo-3,5-difluorotoluene, 5-(bromomethyl)-1,3-difluorobenzene, 3,5-difluorobenzyl-bromide, 3,5-difluoro benzyl bromide, a-Bromo-3,5-difluorotoluene, ?-Bromo-3,5-difluorotoluene, SCHEMBL120092, SCHEMBL5487052, 3,5-Difluorobenzyl bromide, 98%, 1-Bromomethyl-3,5-difluoro-benzene, SBB093783, AKOS005063875, AC-7450, CS-W001133, FD49123, PB47649, 1-(Bromomethyl)-3,5-difluorobenzene #, AS-38684, DB-023737, D2631, ST51039984, EN300-126074, F2190-0300

Application

3,5-Difluorobenzyl bromide serves as a key synthetic intermediate for introducing difluorobenzyl motifs in medicinal chemistry. The compound is particularly valuable in the development of kinase inhibitors and CNS-active pharmaceuticals where fluorine substitution modulates bioavailability. In material science, it acts as a precursor for liquid crystals and fluorinated polymers. The reactive benzyl bromide group enables facile coupling reactions in Pd-catalyzed cross-couplings or nucleophilic substitutions.

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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