Description

3-Trifluoromethylbenzyl chloride (CAS No. 705-29-3) is a high-purity organofluorine compound with the molecular formula C₈H₆ClF₃, widely utilized in pharmaceutical, agrochemical, and advanced material synthesis. This aromatic benzyl chloride derivative features a reactive chloromethyl group and a trifluoromethyl substituent at the meta position, enabling versatile electrophilic and nucleophilic transformations. Supplied as a clear to pale-yellow liquid (typically >97% purity by GC), it exhibits a density of ~1.31 g/mL at 25°C and should be stored under inert atmosphere at 2-8°C to prevent hydrolysis. Ideal for Suzuki couplings, Grignard reactions, and as a precursor for quaternary ammonium compounds. Packaged in amber glass bottles with PTFE-lined caps to ensure stability.

Properties

• CAS Number: 705-29-3
• Complexity: 144
• IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
• InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N
• Exact Mass: 194.0110124
• Molecular Formula: C8H6ClF3
• Molecular Weight: 194.58
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl
• Monoisotopic Mass: 194.0110124
• Synonyms: 705-29-3, 3-(Trifluoromethyl)benzyl chloride, 1-(Chloromethyl)-3-(trifluoromethyl)benzene, 3-Trifluoromethylbenzyl chloride, 3-(Chloromethyl)benzotrifluoride, Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-, 3-Chloromethylbenzotrifluoride, EINECS 211-884-4, DTXSID0061036, XGASTRVQNVVYIZ-UHFFFAOYSA-, DTXCID0046696, inchi=1/c8h6clf3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4h,5h2, xgastrvqnvvyiz-uhfffaoysa-n, 3-Chloromethyl-benzotrifluoride, m-Trifluoromethylbenzyl chloride, MFCD00000908, NSC 5227, alpha’-Chloro-alpha,alpha,alpha-trifluoro-m-xylene, NSC-5227, .alpha.-Chloro-3-trifluoromethyltoluene, 3-(chloromethyl)-1-(trifluoromethyl)benzene, .alpha.’-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene, 3-trifluoromethylbenzylchloride, 3-(Trifluoromethtyl)benzyl chloride, alpha-Chloro-3-trifluoromethyltoluene, XG8S4F46BH, SCHEMBL121048, SCHEMBL543039, 3-chloromethyl benzotrifluoride, 3-Trifiuoromethylbenzylchloride, 3-trifluormethylbenzyl chloride, m-Xylene, alpha’-chloro-alpha,alpha,alpha-trifluoro-, SCHEMBL9900323, m-trifluoromethyl benzyl chloride, SCHEMBL27969313, SCHEMBL28134287, 3-trifluoromethyl benzyl chloride, 3-trifluoromethyl-benzyl chloride, NSC5227, 3-(triflouromethyl)benzyl chloride, m-(Trifluoromethyl)benzyl chloride, SBB040678, STL183296, 3-trifluoromethylphenylmethyl chloride, m-Xylene,.alpha.,.alpha.-trifluoro-, AKOS000120902, AC-9764, FT46001, alpha-Chloro-3-(trifluoromethyl)toluene, 1-chloromethyl-3-trifluoromethyl-benzene, 3-(Trifluoromethyl)benzyl chloride, 97%, SY017828, DB-021774, NS00042012, ST50214171, T2290, EN300-20078, A22554, alpha,alpha,alpha-Trifluoro-alpha’-chloro-m-xylene, .alpha.’-Chloro-.alpha.,.alpha.-trifluoro-m-xylene, alpha-Chloro-alpha’,alpha’,alpha’-trifluoro-m-xylene, F2190-0265, m-Xylene, .alpha.’-chloro-.alpha.,.alpha.,.alpha.-trifluoro-, 1-(chloromethyl)-3-(trifluoromethyl)-benzen;alpha-Chloro-3-trifluoromethyltoluene

Application

3-Trifluoromethylbenzyl chloride serves as a key building block in medicinal chemistry for introducing the trifluoromethylphenyl moiety into drug candidates, particularly in CNS-active compounds. It is employed in the synthesis of liquid crystal materials for display technologies due to its polarizable aromatic core. The compound also finds use in crop protection chemical development as an intermediate for fungicides and herbicides with enhanced bioavailability.

Safety and Hazards

GHS Hazard Statements

• H226 (91.3%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (91.3%)
• 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.