Description

3-(Trifluoromethoxy)benzoyl chloride (CAS No. 86270-03-3) is a high-purity, organofluorine compound with the molecular formula C₈H₄ClF₃O₂. This reactive acyl chloride derivative features a trifluoromethoxy group at the meta position, making it a versatile building block for pharmaceutical, agrochemical, and materials science applications. The compound is supplied as a clear to pale yellow liquid with typical purity ≥97% (GC), packaged under inert gas to ensure stability. Special handling is required due to moisture sensitivity and corrosive properties. Ideal for nucleophilic substitution reactions, Friedel-Crafts acylation, and other transformations where introduction of the 3-(trifluoromethoxy)benzoyl moiety is desired.

Key specifications include: Molecular Weight 224.56 g/mol, Density ~1.4 g/cm³, Boiling Point 80-82°C at 12 mmHg. Available in research quantities (1g, 5g, 25g) with optional custom packaging. NMR, GC/MS, and HPLC data available upon request.

Properties

• CAS Number: 86270-03-3
• Complexity: 217
• IUPAC Name: 3-(trifluoromethoxy)benzoyl chloride
• InChI: InChI=1S/C8H4ClF3O2/c9-7(13)5-2-1-3-6(4-5)14-8(10,11)12/h1-4H
• InChI Key: MGKIOAXLPYJSMU-UHFFFAOYSA-N
• Exact Mass: 223.9851915
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.56
• SMILES: C1=CC(=CC(=C1)OC(F)(F)F)C(=O)Cl
• Topological: 26.3
• Monoisotopic Mass: 223.9851915
• Synonyms: 3-(Trifluoromethoxy)benzoyl chloride, 86270-03-3, DTXSID80335084, DTXCID30286173, 642-874-1, mgkioaxlpyjsmu-uhfffaoysa-n, MFCD00061268, 3-(Trifluoromethoxy)benzoylchloride, Benzoyl chloride, 3-(trifluoromethoxy)-, m-(trifluoromethoxy)benzoyl chloride, 3-trifluoromethoxybenzoyl chloride, 3-trifluoromethoxy-benzoyl chloride, SCHEMBL248669, CK1095, SBB067926, 3-(trifluoromethyloxy)benzoyl chloride, AKOS015853108, PS-10746, DB-021756, T2334, A841595

Application

3-(Trifluoromethoxy)benzoyl chloride serves as a key intermediate in the synthesis of biologically active compounds, particularly in pharmaceutical development where the trifluoromethoxy group enhances metabolic stability. It is widely employed in the preparation of liquid crystal materials for display technologies due to its ability to modify molecular polarity. The compound also finds use in agrochemical research for creating novel pesticides with improved environmental persistence.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

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

Hazard Classes and Categories

• 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.