Description

1-(Bromomethyl)-2,3-difluorobenzene (CAS No. 113211-94-2) is a high-purity aromatic bromide compound with the molecular formula C₇H₅BrF₂. This organofluorine building block features a reactive bromomethyl group adjacent to two fluorine substituents on the benzene ring, making it a versatile intermediate for synthetic chemistry applications. The compound is supplied as a clear to pale yellow liquid with typical purity ≥95% (GC). It is moisture-sensitive and should be stored under inert atmosphere at 2-8°C. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for pharmaceutical intermediates. Available in research quantities (100mg to 100g) with optional custom packaging.

Properties

• CAS Number: 113211-94-2
• Complexity: 108
• IUPAC Name: 1-(bromomethyl)-2,3-difluoro-benzene
• InChI: InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
• InChI Key: FTBSGSZZESQDBM-UHFFFAOYSA-N
• Exact Mass: 205.95427
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.01
• SMILES: C1=CC(=C(C(=C1)F)F)CBr
• Monoisotopic Mass: 205.95427
• Synonyms: benzene, 1-(bromomethyl)-2,3-difluoro-, 1-(Bromomethyl)-2,3-difluoro-benzene, 628-547-6, 2,3-Difluorobenzyl bromide, 113211-94-2, 1-(Bromomethyl)-2,3-difluorobenzene, alpha-Bromo-2,3-difluorotoluene, a-bromo-2,3-difluorotoluene, MFCD00042488, 2,3-Difluorobenzylbromide, 2,3-difluorobenzyl-bromide, 2,3-difluoro-benzyl bromide, SCHEMBL127091, SCHEMBL28190978, DTXSID20333761, 2,3-Difluorobenzyl bromide, 98%, BCP24607, 1-bromomethyl-2,3-difluoro-benzene, SBB006681, AKOS005064084, AC-9730, 1-(Bromomethyl)-2,3-difluorobenzene #, DB-015909, D4320, EN300-15239

Application

This benzyl bromide derivative is widely used as a key synthetic intermediate in pharmaceutical research, particularly for the preparation of fluorinated drug candidates. The compound serves as an excellent electrophile for nucleophilic aromatic substitution reactions in medicinal chemistry. Its difluorinated aromatic structure makes it valuable for developing PET radiotracers and bioactive molecules targeting CNS disorders. The reactive bromomethyl group enables facile functionalization for structure-activity relationship studies.

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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