Description

4-Methyl-2-(trifluoromethyl)benzyl chloride (CAS No. 1261456-37-4) is a high-purity organic compound with the molecular formula C₉H₈ClF₃. This versatile benzyl chloride derivative is widely used in pharmaceutical and agrochemical research due to its reactive chloromethyl group and trifluoromethyl substituent, which enhance its utility in synthetic chemistry. Its IUPAC name is 1-(chloromethyl)-4-methyl-2-(trifluoromethyl)benzene, and it is characterized by its clear to pale-yellow appearance. Ideal for nucleophilic substitution reactions, this compound is rigorously tested for quality and consistency, ensuring optimal performance in complex organic syntheses. Packaged under inert conditions to maintain stability, it is a valuable building block for researchers developing novel compounds.

Properties

• CAS Number: 1261456-37-4
• Complexity: 167
• IUPAC Name: 1-(chloromethyl)-4-methyl-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C9H8ClF3/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3
• InChI Key: VACHUULSFDIFSL-UHFFFAOYSA-N
• Exact Mass: 208.0266624
• Molecular Formula: C9H8ClF3
• Molecular Weight: 208.61
• SMILES: CC1=CC(=C(C=C1)CCl)C(F)(F)F
• Monoisotopic Mass: 208.0266624
• Synonyms: 1-(Chloromethyl)-4-methyl-2-(trifluoromethyl)benzene, 4-METHYL-2-(TRIFLUOROMETHYL)BENZYL CHLORIDE, SCHEMBL15535027, DB-190637, 1261456-37-4

Application

4-Methyl-2-(trifluoromethyl)benzyl chloride is primarily employed as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its reactive chloromethyl group facilitates the introduction of the benzyl moiety into target molecules, while the trifluoromethyl group enhances metabolic stability and lipophilicity. Researchers utilize this compound in cross-coupling reactions and as a precursor for catalysts or ligands. It is also valuable in the development of bioactive molecules, including potential drug candidates and crop protection agents.

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