Description

1-Bromo-3-(bromomethyl)-5-fluorobenzene (CAS No. 216755-57-6) is a high-purity aromatic compound with the molecular formula C₇H₅Br₂F. This halogenated benzene derivative features both bromine and fluorine substituents, making it a versatile intermediate for advanced organic synthesis and pharmaceutical research. Its precise structure (IUPAC name: 1-bromo-3-(bromomethyl)-5-fluorobenzene) ensures reactivity at multiple sites, ideal for cross-coupling reactions, nucleophilic substitutions, or as a building block for complex molecules. Packaged under inert conditions to ensure stability, this compound is rigorously tested via GC/MS and NMR to meet ≥95% purity standards. Suitable for use in controlled environments by trained professionals.

Properties

• CAS Number: 216755-57-6
• Complexity: 108
• IUPAC Name: 1-bromo-3-(bromomethyl)-5-fluoro-benzene
• InChI: InChI=1S/C7H5Br2F/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
• InChI Key: DAUWIPUGOIFZNF-UHFFFAOYSA-N
• Exact Mass: 267.87215
• Molecular Formula: C7H5Br2F
• Molecular Weight: 267.92
• SMILES: C1=C(C=C(C=C1F)Br)CBr
• Monoisotopic Mass: 265.87420
• Synonyms: 216755-57-6, 1-bromo-3-(bromomethyl)-5-fluorobenzene, DTXSID20634624, DTXCID90585376, 834-691-2, 3-bromo-5-fluorobenzyl bromide, 3-Fluoro-5-bromobenzyl bromide, 3-Fluoro-5-bromobenzylbromide, MFCD09258959, 1-Bromo-3-bromomethyl-5-fluoro-benzene, 5-bromo-3-(bromomethyl)-1-fluorobenzene, SCHEMBL671058, SCHEMBL20916888, DAUWIPUGOIFZNF-UHFFFAOYSA-N, SBB070909, AKOS012020350, CS-W006557, DS-14295, SY017931, 1-bromo-3-(bromomethyl)-5-fluoro-benzene, DB-011038, B5338, EN300-99500, A22480

Application

1-Bromo-3-(bromomethyl)-5-fluorobenzene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its dual bromine functionality enables selective functionalization in Suzuki-Miyaura or Ullmann-type coupling reactions. Researchers utilize this compound to develop bioactive molecules, particularly in CNS drug discovery due to the fluorine moiety’s metabolic stability. It is also employed in materials science for creating halogenated polymers with enhanced flame-retardant properties.

Safety and Hazards

GHS Hazard Statements

• H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (50%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (50%)

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