Description

5-Bromo-2-(bromomethyl)-1,3-difluorobenzene (CAS No. 162744-60-7) is a high-purity halogenated aromatic compound with the molecular formula C₇H₄Br₂F₂. This versatile intermediate features a bromomethyl group and bromo- and difluoro-substituents on a benzene ring, making it a valuable building block for pharmaceutical, agrochemical, and materials science research. Its unique structure enables selective functionalization for the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and liquid crystal materials. Available in >98% purity (GC), this compound is rigorously tested for consistency and stability, ensuring reliable performance in synthetic applications. Packaged under inert gas to prevent degradation, it is ideal for use in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced fluorinated compounds.

Properties

• CAS Number: 162744-60-7
• Complexity: 120
• IUPAC Name: 5-bromo-2-(bromomethyl)-1,3-difluoro-benzene
• InChI: InChI=1S/C7H4Br2F2/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
• InChI Key: VSKMLLGUWKLTQV-UHFFFAOYSA-N
• Exact Mass: 285.86273
• Molecular Formula: C7H4Br2F2
• Molecular Weight: 285.91
• SMILES: C1=C(C=C(C(=C1F)CBr)F)Br
• Monoisotopic Mass: 283.86478
• Synonyms: 162744-60-7, 5-Bromo-2-(bromomethyl)-1,3-difluorobenzene, 4-Bromo-2,6-difluorobenzyl bromide, DTXSID40378356, DTXCID40329383, 801-273-6, Benzene, 5-bromo-2-(bromomethyl)-1,3-difluoro-, 5-Bromo-2-bromomethyl-1,3-difluoro-benzene, MFCD03094462, 5-bromo-2-(bromomethyl)-1,3-difluoro-benzene, SCHEMBL601770, VSKMLLGUWKLTQV-UHFFFAOYSA-N, AKOS005145775, AC-23895, AS-37142, DA-18211, SY106789, EN300-1895850

Application

5-Bromo-2-(bromomethyl)-1,3-difluorobenzene is widely used as a key intermediate in organic synthesis, particularly in the preparation of fluorinated aromatic compounds for pharmaceutical and agrochemical applications. Its reactive bromomethyl group facilitates further derivatization via Suzuki, Heck, or other cross-coupling reactions. Researchers also employ it in the development of liquid crystal materials due to its stable difluorobenzene core. The compound’s halogen-rich structure makes it suitable for constructing complex molecules in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Corr. 1B (100%)
• STOT SE 3 (33.3%)

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