Description

3-Fluoro-5-(trifluoromethyl)benzoyl chloride (CAS No. 171243-30-4) is a high-purity fluorinated benzoyl chloride derivative with the molecular formula C₈H₃ClF₄O. This specialized reagent is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive acyl chloride functional group and electron-withdrawing trifluoromethyl and fluorine substituents. Its unique structure enables selective acylation reactions, making it valuable for constructing complex fluorinated aromatic scaffolds. Our product is rigorously quality-controlled to ensure optimal reactivity and consistency, supplied as a moisture-sensitive liquid under inert packaging. Researchers rely on this compound for its ability to introduce the 3-fluoro-5-(trifluoromethyl)benzoyl moiety into target molecules, enhancing lipophilicity and metabolic stability in drug discovery applications.

Properties

• CAS Number: 171243-30-4
• Complexity: 228
• IUPAC Name: 3-fluoro-5-(trifluoromethyl)benzoyl chloride
• InChI: InChI=1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H
• InChI Key: BGAKSLBTFLVNAH-UHFFFAOYSA-N
• Exact Mass: 225.9808551
• Molecular Formula: C8H3ClF4O
• Molecular Weight: 226.55
• SMILES: C1=C(C=C(C=C1C(F)(F)F)F)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 225.9808551
• Synonyms: 3-Fluoro-5-(trifluoromethyl)benzoyl chloride, 171243-30-4, DTXSID60333987, DTXCID00285077, 624-911-3, bgakslbtflvnah-uhfffaoysa-n, 3-fluoro-5-(trifluoromethyl)benzoylchloride, MFCD00061157, 5-fluoro-3-(trifluoromethyl)benzoyl chloride, 3-Fluoro-5-trifluoromethylbenzoyl chloride, alpha,alpha,alpha,5-Tetrafluoro-m-toluoyl Chloride, 3-fluoro-5-(trifluoromethyl)benzoic acid chloride, SCHEMBL679313, SBB097009, AKOS015853100, AC-10883, PS-10740, SY048987, 3-fluoro-5-trifluoromethyl benzoyl chloride, 3-fluoro-5-trifluoromethyl-benzoyl chloride, DB-043857, F0767, ST51039998, 3-Fluoro-5-(trifluoromethyl)benzoyl chloride, 95%

Application

3-Fluoro-5-(trifluoromethyl)benzoyl chloride serves as a key building block in pharmaceutical synthesis, particularly for introducing fluorinated aromatic groups into bioactive molecules. It is employed in peptide coupling reactions and as an intermediate for agrochemicals and liquid crystal materials. The compound’s electron-deficient aromatic ring facilitates nucleophilic aromatic substitutions in medicinal chemistry programs targeting CNS and inflammatory diseases.

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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