Description

1-(Bromomethyl)-3-(trifluoromethyl)benzene (CAS No. 402-23-3) is a high-purity aromatic organic compound with the molecular formula C₈H₆BrF₃. This versatile reagent features a reactive bromomethyl group and a trifluoromethyl substituent on a benzene ring, making it an essential building block for pharmaceutical, agrochemical, and materials science research. Its unique structure enables efficient functionalization in nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for advanced intermediates. Supplied as a clear to pale-yellow liquid, it is rigorously tested for quality, ensuring optimal performance in synthetic applications. Store under inert conditions to maintain stability and reactivity.

Properties

• CAS Number: 402-23-3
• Complexity: 144
• IUPAC Name: 1-(bromomethyl)-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
• InChI Key: MYYYZNVAUZVXBO-UHFFFAOYSA-N
• Exact Mass: 237.96050
• Molecular Formula: C8H6BrF3
• Molecular Weight: 239.03
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)CBr
• Monoisotopic Mass: 237.96050
• Synonyms: 3-(Trifluoromethyl)benzyl bromide, 402-23-3, 1-(Bromomethyl)-3-(trifluoromethyl)benzene, EINECS 206-938-9, MYYYZNVAUZVXBO-UHFFFAOYSA-, DTXSID90193192, DTXCID00115683, 206-938-9, inchi=1/c8h6brf3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4h,5h2, m-Trifluoromethylbenzyl bromide, 3-Trifluoromethylbenzyl bromide, 3-(Bromomethyl)benzotrifluoride, 1-bromomethyl-3-trifluoromethyl-benzene, 3-(trifluoromethyl)benzylbromide, alpha’-Bromo-alpha,alpha,alpha-trifluoro-m-xylene, Benzene, 1-(bromomethyl)-3-(trifluoromethyl)-, AQW68T8KB6, MFCD00000395, 3-Trifluoromethylbenzylbromide, UNII-AQW68T8KB6, SCHEMBL4567, 3-trifluormethyl benzylbromide, SCHEMBL7311538, 3-trifluoromethyl benzyl bromide, 3-trifluoromethyl-benzyl bromide, SCHEMBL28259744, 3-trifluoro methyl benzyl bromide, m-(Trifluoromethyl)benzyl bromide, ITBGAFKWPIRXRF-UHFFFAOYSA-N, YNJNIPBGZOXQSN-UHFFFAOYSA-N, 3-(Trifluoromethyl) benzyl bromide, 3-(trifluoromethyl)-benzyl bromide, 3-trifluoromethylphenylmethyl bromide, SBB006697, AKOS005207000, AC-9765, 1-(bromomethyl)-3-trifluoromethylbenzene, 3-(Trifluoromethyl)benzyl bromide, 98%, AS-13562, 3-(bromomethyl)-1-(trifluoromethyl)benzene, DB-023995, NS00043690, ST51039986, T1782, 1-(Bromomethyl)-3-(trifluoromethyl)benzene #, EN300-716215, alpha-Bromo-alpha’,alpha’,alpha’-trifluoro-m-xylene, m-Xylene, alpha’-bromo-alpha,alpha,alpha-trifluoro-, F0001-1135

Application

1-(Bromomethyl)-3-(trifluoromethyl)benzene is widely used in organic synthesis as a key intermediate for introducing trifluoromethylbenzyl groups into target molecules. It is particularly valuable in pharmaceutical research for the development of bioactive compounds and fluorinated analogs. Additionally, it serves as a precursor in agrochemical synthesis and specialty materials, leveraging its reactivity in alkylation and cross-coupling reactions.

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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