Description

2,4,5-Trifluorobenzyl Bromide (CAS No. 157911-56-3) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄BrF₃. This organobromine reagent is widely utilized in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its IUPAC name, 1-(bromomethyl)-2,4,5-trifluorobenzene, reflects its trifluorinated benzyl bromide structure, which enhances reactivity in nucleophilic substitution and coupling reactions. Available in >98% purity (GC), this compound is supplied as a clear to pale-yellow liquid with strict quality control to ensure consistency in research and industrial applications. Proper storage under inert conditions (e.g., N₂ atmosphere) at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 157911-56-3
• Complexity: 131
• IUPAC Name: 1-(bromomethyl)-2,4,5-trifluoro-benzene
• InChI: InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
• InChI Key: GAUXEYCSWSMMFZ-UHFFFAOYSA-N
• Exact Mass: 223.94485
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.01
• SMILES: C1=C(C(=CC(=C1F)F)F)CBr
• Monoisotopic Mass: 223.94485
• Synonyms: 2,4,5-Trifluorobenzyl bromide, 157911-56-3, DTXSID60380355, DTXCID00331381, 642-693-8, gauxeycswsmmfz-uhfffaoysa-n, 1-(Bromomethyl)-2,4,5-trifluorobenzene, BENZENE, 1-(BROMOMETHYL)-2,4,5-TRIFLUORO-, 2,4,5-trifluorobenzylbromide, 2,4,5-trifluoro benzyl bromide, MFCD00061209, 2,4,5-trifluorbenzylbromide, SCHEMBL344590, 2,4,5 trifluorobenzyl bromide, 2,4,5-trifluoro-benzylbromide, SBB096751, AKOS005063907, AC-9756, SB33946, 1-bromomethyl-2,4,5-trifluoro-benzene, AS-15859, DB-023757, ST51039990, T2386, A24154, EN300-1913171

Application

2,4,5-Trifluorobenzyl Bromide serves as a versatile building block in the synthesis of fluorinated active pharmaceutical ingredients (APIs), including kinase inhibitors and antiviral agents. Its electron-withdrawing trifluoromethyl groups facilitate Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions. The compound is also employed in agrochemical research to develop herbicides with enhanced metabolic stability. Researchers value its reactivity in benzylic functionalization for constructing complex fluorinated scaffolds.

Safety and Hazards

GHS Hazard Statements

• H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.3%): 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 (14.3%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (14.3%)
• Eye Irrit. 2 (28.6%)
• STOT SE 3 (14.3%)

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