Description

p-Trifluoromethylbenzyl chloride (CAS No. 939-99-1) is a high-purity aromatic organofluorine compound with the molecular formula C₈H₆ClF₃. This versatile reagent is widely used in pharmaceutical, agrochemical, and materials science research due to its reactive chloromethyl and electron-withdrawing trifluoromethyl groups. The compound is supplied as a clear to pale yellow liquid with a characteristic pungent odor, and is typically stored under inert conditions to prevent degradation.

Our product is rigorously tested to ensure >98% purity (GC), with stringent controls for moisture and impurities. It is packaged in amber glass bottles with PTFE-lined caps to ensure stability and longevity. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for advanced fluorinated materials.

Key Specifications:
– Molecular Weight: 194.58 g/mol
– Boiling Point: 185-187°C
– Density: 1.33 g/cm³ at 25°C
– Refractive Index: n_D²⁰ 1.465-1.468

Properties

• CAS Number: 939-99-1
• Complexity: 136
• IUPAC Name: 1-(chloromethyl)-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
• InChI Key: MCHDHQVROPEJJT-UHFFFAOYSA-N
• Exact Mass: 194.0110124
• Molecular Formula: C8H6ClF3
• Molecular Weight: 194.58
• SMILES: C1=CC(=CC=C1CCl)C(F)(F)F
• Monoisotopic Mass: 194.0110124
• Synonyms: 4-(Trifluoromethyl)benzyl chloride, 939-99-1, p-Trifluoromethylbenzyl chloride, CCRIS 5110, DTXSID20239870, DTXCID70162361, 627-519-0, 4-Trifluoromethylbenzyl chloride, 1-(chloromethyl)-4-(trifluoromethyl)benzene, 4-(Chloromethyl)benzotrifluoride, p-(trifluoromethyl)benzyl chloride, Benzene, 1-(chloromethyl)-4-(trifluoromethyl)-, MFCD00040772, alpha’-Chloro-alpha,alpha,alpha-trifluoro-p-xylene, SCHEMBL543043, SCHEMBL676931, 4-trifluoromethyl benzylchloride, 4-trifluoromethyl benzyl chloride, 4-trifluoromethyl-benzyl chloride, ALBB-006036, A’-chloro-A,A,A-trifluoro-p-xylene, SBB006696, STK503681, AKOS000118139, 1-chloromethyl-4-trifluoromethylbenzene, AC-9766, 1-chloromethyl-4-trifluoromethyl benzene, 1-Chloromethyl-4-trifluoromethyl-benzene, 4-(Trifluoromethyl)benzyl chloride, 98%, PS-10650, 4-(chloromethyl)-1-(trifluoromethyl)benzene, NS00022893, ST50946598, T2488, EN300-15429, A16129, alpha-Chloro-alpha,alpha,alpha-trifluoro-p-xylene, alpha-Chloro-alpha’,alpha’,alpha’-trifluoro-p-xylene

Application

p-Trifluoromethylbenzyl chloride serves as a key intermediate in the synthesis of biologically active compounds, particularly in the development of pharmaceuticals with enhanced metabolic stability. The trifluoromethyl group improves lipophilicity and bioavailability, making this reagent valuable for medicinal chemistry applications. It is also employed in the preparation of liquid crystals and advanced polymers where fluorine incorporation modifies material properties. In agrochemical research, it functions as a precursor for herbicides and pesticides with improved environmental persistence.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (85.1%)

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