Description

1-(Bromomethyl)-2-chloro-4-fluorobenzene (CAS No. 45767-66-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrClF. This versatile intermediate features a reactive bromomethyl group adjacent to chloro and fluoro substituents on a benzene ring, making it ideal for nucleophilic substitution reactions, cross-coupling chemistry, and pharmaceutical synthesis. With a molecular weight of 223.47 g/mol, this compound is supplied as a clear to pale yellow liquid (or low-melting solid) and should be stored under inert conditions due to its moisture-sensitive nature. Its unique substitution pattern enables regioselective functionalization, offering researchers precise control in complex organic transformations. GC/HPLC analysis confirms purity ≥95%, with detailed technical data available upon request.

Properties

• CAS Number: 45767-66-6
• Complexity: 110
• IUPAC Name: 1-(bromomethyl)-2-chloro-4-fluoro-benzene
• InChI: InChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
• InChI Key: GAUUDQVOPUKGJD-UHFFFAOYSA-N
• Exact Mass: 221.92472
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.47
• SMILES: C1=CC(=C(C=C1F)Cl)CBr
• Monoisotopic Mass: 221.92472
• Synonyms: 1-(bromomethyl)-2-chloro-4-fluorobenzene, 642-573-5, 2-Chloro-4-fluorobenzyl bromide, 45767-66-6, MFCD00236025, 2-chloro-4-fluorobenzylbromide, Benzene, 1-(bromomethyl)-2-chloro-4-fluoro-, SCHEMBL121630, 2-chloro-4-flurobenzyl bromide, 4-fluoro-2-chlorobenzyl bromide, DTXSID50369351, 2-chloro-4-fluoro benzyl bromide, 2-chloro-4-fluoro-benzyl bromide, SBB005762, STK399768, AKOS009157927, 1-bromomethyl-2-chloro-4-fluorobenzene, 2-CHLORO-4-FLUORO-BENZYLBROMIDE, (2-chloro-4-fluorophenyl)methyl bromide, 1-bromomethyl-2-chloro-4-fluoro-benzene, SY016867, DB-024088, 2-Chloro-4-fluorobenzyl bromide, AldrichCPR, C2098, ST50585907, EN300-129597, 1-(Bromomethyl)-2-chloro-4-fluorobenzene, alpha-Bromo-2-chloro-4-fluorotoluene

Application

This compound serves as a key building block in medicinal chemistry for introducing 2-chloro-4-fluorobenzyl motifs into drug candidates. It’s particularly valuable in synthesizing kinase inhibitors and CNS-active compounds where the halogen pattern modulates bioactivity. The reactive benzylic bromide participates efficiently in Suzuki couplings, aminations, and other transition metal-catalyzed reactions.

Safety and Hazards

GHS Hazard Statements

• H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]
• H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (12.5%)
• Acute Tox. 4 (12.5%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (12.5%)
• Eye Irrit. 2 (12.5%)
• STOT SE 3 (12.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.