Description

1-Bromo-2-(bromomethyl)-4-fluorobenzene (CAS No. 112399-50-5) is a highly reactive brominated and fluorinated aromatic compound with the molecular formula C₇H₅Br₂F. This organohalide is a versatile intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its structure features both a bromine substituent and a reactive bromomethyl group on a fluorinated benzene ring, making it an excellent candidate for nucleophilic substitution, cross-coupling reactions, and further functionalization.

This compound is supplied as a high-purity solid or liquid (depending on storage conditions) and should be handled under inert conditions due to its sensitivity to moisture and air. It is ideal for researchers developing novel fluorinated compounds or exploring halogenated building blocks for drug discovery. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 112399-50-5
• Complexity: 108
• IUPAC Name: 1-bromo-2-(bromomethyl)-4-fluoro-benzene
• InChI: InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
• InChI Key: CZLWYKAZAVYQIK-UHFFFAOYSA-N
• Exact Mass: 267.87215
• Molecular Formula: C7H5Br2F
• Molecular Weight: 267.92
• SMILES: C1=CC(=C(C=C1F)CBr)Br
• Monoisotopic Mass: 265.87420
• Synonyms: 1-Bromo-2-(bromomethyl)-4-fluorobenzene, 642-591-3, 2-Bromo-5-fluorobenzyl bromide, 112399-50-5, 5-Fluoro-2-bromobenzyl bromide, 2-Bromo-5-fluorobenzylbromide, 1-bromo-2-(bromomethyl)-4-fluoro-benzene, BENZENE, 1-BROMO-2-(BROMOMETHYL)-4-FLUORO-, MFCD00042187, SCHEMBL156831, 2-bromo-5-fluoro benzyl bromide, 2-bromo-5-fluoro-benzyl bromide, DTXSID70333756, 2-bromomethyl-4-fluorobromobenzene, BBL103352, SBB070910, STL557162, 1-bromo-2-bromomethyl-4-fluorobenzene, AKOS009148363, AC-4158, CS-W002200, 2-Bromo-5-fluorobenzyl bromide, AldrichCPR, DB-023697, 1-Bromo-2-(bromomethyl)-4-fluorobenzene #, B3784, EN300-29546

Application

1-Bromo-2-(bromomethyl)-4-fluorobenzene is widely used as a key intermediate in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical and agrochemical research. It serves as a precursor for Suzuki-Miyaura and other cross-coupling reactions to introduce fluorinated benzyl motifs into complex molecules. Researchers also utilize it in the development of liquid crystals, OLED materials, and other advanced functional materials requiring halogenated aromatic cores.

Safety and Hazards

GHS Hazard Statements

• H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]
• 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, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (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.