Description

4-(Trifluoromethoxy)benzyl Chloride (CAS No. 65796-00-1) is a high-purity organic compound with the molecular formula C₈H₆ClF₃O and IUPAC name 1-(chloromethyl)-4-(trifluoromethoxy)benzene. This versatile reagent features a reactive chloromethyl group and a trifluoromethoxy substituent, making it an essential intermediate in pharmaceutical, agrochemical, and materials science research. Our product is synthesized under strict quality control, ensuring >98% purity (GC) and optimal consistency for demanding synthetic applications. Supplied in sealed, light-resistant packaging to maintain stability, it is ideal for nucleophilic substitutions, cross-coupling reactions, and as a precursor for advanced fluorinated compounds. Compatible with inert atmosphere handling due to moisture sensitivity.

Properties

• CAS Number: 65796-00-1
• Complexity: 152
• IUPAC Name: 1-(chloromethyl)-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
• InChI Key: LBMKFQMJURUPKC-UHFFFAOYSA-N
• Exact Mass: 210.0059270
• Molecular Formula: C8H6ClF3O
• Molecular Weight: 210.58
• SMILES: C1=CC(=CC=C1CCl)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 210.0059270
• Synonyms: 4-(Trifluoromethoxy)benzyl Chloride, 65796-00-1, DTXSID40380439, DTXCID80331465, 642-554-1, 1-(Chloromethyl)-4-(trifluoromethoxy)benzene, MFCD00052326, [4-(chloromethyl)phenoxy]trifluoromethane, Benzene, 1-(chloromethyl)-4-(trifluoromethoxy)-, alpha-Chloro-4-(trifluoromethoxy)toluene, SCHEMBL543036, SCHEMBL1008825, p-trifluoromethoxybenzyl chloride, 4-triflouromethoxybenzyl chloride, 4-trifluoromethoxybenzyl chloride, SBB094395, STL145783, AKOS000262290, CS-W002250, 4-chloromethyl-1-trifluoromethoxybenzene, PS-10648, 1-(chloromethyl)-4-trifluoromethoxybenzene, 1-(chloromethyl)4-(trifluoromethoxy)benzene, DB-024200, ST51041555, T2453

Application

4-(Trifluoromethoxy)benzyl Chloride is widely used as a key building block in medicinal chemistry for introducing the trifluoromethoxybenzyl moiety into drug candidates, enhancing metabolic stability and lipophilicity. It serves as a precursor for herbicides and pesticides in agrochemical research. The compound is also employed in material science to synthesize fluorinated liquid crystals and polymers with unique dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (14.3%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (14.3%)
• Eye Irrit. 2 (14.3%)
• STOT SE 3 (14.3%)

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