Description

1-(Bromomethyl)-2-(trifluoromethyl)benzene (CAS No. 395-44-8) is a high-purity aromatic organobromine compound with the molecular formula C₈H₆BrF₃. This specialized chemical features a benzyl bromide moiety adjacent to a trifluoromethyl group, making it a versatile building block for synthetic organic chemistry and pharmaceutical intermediates. The compound is supplied as a clear to pale yellow liquid with a characteristic aromatic odor, and is typically packaged under inert gas to ensure stability. With a molecular weight of 239.04 g/mol, it offers excellent reactivity in nucleophilic substitution reactions, particularly in the preparation of more complex fluorinated compounds. Our product undergoes rigorous QC testing including GC-MS and NMR analysis to guarantee ≥98% purity, making it ideal for research applications requiring precise stoichiometry.

Key applications include use as: a precursor in Suzuki coupling reactions, a reagent for introducing trifluoromethylbenzyl groups, and as an intermediate in the synthesis of biologically active molecules. The compound should be stored at 2-8°C in tightly sealed containers away from light and moisture. Technical specifications include: density ~1.58 g/cm³, boiling point approximately 210-215°C, and refractive index n_D²⁰ 1.50-1.52. Safety considerations include GHS hazard statements H314 (causes severe skin burns and eye damage) and H335 (may cause respiratory irritation).

Properties

• CAS Number: 395-44-8
• Complexity: 144
• IUPAC Name: 1-(bromomethyl)-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
• InChI Key: TXVVVEUSVBLDED-UHFFFAOYSA-N
• Exact Mass: 237.96050
• Molecular Formula: C8H6BrF3
• Molecular Weight: 239.03
• SMILES: C1=CC=C(C(=C1)CBr)C(F)(F)F
• Monoisotopic Mass: 237.96050
• Synonyms: 395-44-8, 1-(Bromomethyl)-2-(trifluoromethyl)benzene, 2-Trifluoromethylbenzyl bromide, EINECS 206-901-7, DTXSID70192643, DTXCID10115134, 206-901-7, 2-(Trifluoromethyl)benzyl bromide, 2-(trifluoromethyl)benzylbromide, o-Trifluoromethylbenzyl bromide, Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-, 2-(bromomethyl)-1-(trifluoromethyl)benzene, MFCD00013558, SCHEMBL4527, 2-trifluoromethylbenzylbromide, 2-trifluoromethyl-benzylbromide, 2-(Bromomethyl)benzotrifluoride, 2-trifluoromethyl benzyl bromide, 2-trifluoromethyl-benzyl bromide, 2-(trifluoromethyl)-benzyl bromide, SBB006692, ZH0005, AKOS009157777, CS-W010300, PS-9990, 1-Bromomethyl-2-trifluoromethyl-benzene, 2-(Trifluoromethyl)benzyl bromide, 96%, AC-16904, DB-013238, NS00043191, ST51040002, T2768, EN300-198047, alpha-Bromo-alpha,alpha,alpha-trifluoro-o-xylene, alpha-Bromo-alpha’,alpha’,alpha’-trifluoro-o-xylene, F0001-1110

Application

This compound serves as a key intermediate in pharmaceutical research, particularly in the synthesis of trifluoromethyl-containing drug candidates where the benzyl bromide moiety enables facile functionalization. In material science, it’s employed to create specialized fluorinated polymers with enhanced thermal stability and chemical resistance. The reagent finds particular utility in palladium-catalyzed cross-coupling reactions to construct complex aromatic systems for agrochemical and medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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