Description

4-(Trifluoromethoxy)benzoyl Chloride (CAS No. 36823-88-8) is a high-purity, reactive organic compound with the molecular formula C₈H₄ClF₃O₂. This benzoyl chloride derivative is characterized by the presence of a trifluoromethoxy group at the para position, enhancing its utility in synthetic organic chemistry. It is a clear to pale yellow liquid with a pungent odor, typically stored under inert conditions to prevent hydrolysis. Ideal for researchers and industrial chemists, this compound serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its high reactivity with nucleophiles makes it invaluable for acylations and other derivatization reactions. Available in various packaging options to suit laboratory and bulk-scale needs.

Properties

• CAS Number: 36823-88-8
• Complexity: 209
• IUPAC Name: 4-(trifluoromethoxy)benzoyl chloride
• InChI: InChI=1S/C8H4ClF3O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
• InChI Key: ZXKKOFJYPRJFIE-UHFFFAOYSA-N
• Exact Mass: 223.9851915
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.56
• SMILES: C1=CC(=CC=C1C(=O)Cl)OC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 223.9851915
• Synonyms: 4-(Trifluoromethoxy)benzoyl chloride, 36823-88-8, 4-Trifluoromethoxybenzoyl chloride, DTXSID00190293, DTXCID10112784, 627-673-9, 4-(trifluoromethoxy)benzoylchloride, MFCD00052329, Benzoyl chloride, 4-(trifluoromethoxy)-, 4-(trifluoromethoxy)benzene-1-carbonyl chloride, 4-trifluoromethoxy-benzoyl chloride, p-(trifluoromethoxy)benzoyl chloride, SCHEMBL162647, 4-trifluoromethoxybenzoylchloride, 4-trifluoromethoxy-benzoylchloride, 4-trifluoromethoxy benzoyl chloride, 4-(trifluoromethyoxy)benzoyl chloride, BBL036469, p-(trifluoromethoxy)-benzoyl chloride, SBB006550, STL559010, 4-(trifluoromethoxy)-benzoyl chloride, AKOS015852935, PS-10744, 4-(Trifluoromethoxy)benzoyl chloride, 98%, T2341, 4-(Trifluoromethoxy)-1-benzenecarbonyl chloride

Application

4-(Trifluoromethoxy)benzoyl Chloride is widely used as a key intermediate in the synthesis of biologically active compounds, including pharmaceuticals and agrochemicals. It is particularly valuable in the preparation of amides, esters, and other derivatives through nucleophilic acyl substitution reactions. Researchers also employ it in the development of liquid crystals and advanced materials due to its trifluoromethoxy group’s unique electronic properties. Its reactivity makes it suitable for coupling reactions in medicinal chemistry and drug discovery.

Safety and Hazards

GHS Hazard Statements

• H226 (85.1%): 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 (85.1%)
• 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.