Description

Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1) (CAS No. 173676-59-0) is a high-purity chemical compound with the molecular formula C₈H₆Cl₂F₃NO. This specialized organic intermediate features a trifluoroacetyl group bonded to a chlorinated aniline moiety, making it a valuable building block for pharmaceutical and agrochemical research. The hydrochloride salt form enhances stability and solubility for synthetic applications. With multiple synonyms including 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride and MFCD09263480, this compound is supplied as a white to off-white crystalline powder with >95% purity (HPLC). Ideal for medicinal chemistry, this reagent is packaged under inert gas to ensure maximum shelf life and is available in research quantities from 100mg to 10kg scale. Store at 2-8°C in a tightly sealed container protected from moisture.

Properties

• CAS Number: 173676-59-0
• Complexity: 231
• IUPAC Name: 1-(2-amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanone;hydrochloride
• InChI: InChI=1S/C8H5ClF3NO.ClH/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;/h1-3H,13H2;1H
• InChI Key: PNLSPSLPBVQWAB-UHFFFAOYSA-N
• Exact Mass: 258.9778537
• Molecular Formula: C8H6Cl2F3NO
• Molecular Weight: 260.04
• SMILES: C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N.Cl
• Topological: 43.1
• Monoisotopic Mass: 258.9778537
• Synonyms: Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1), 173676-59-0, 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride, MFCD09263480, 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one hydrochloride, 4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate, 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate, 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoro-ethanone Hydrochloride, SCHEMBL16992931, PNLSPSLPBVQWAB-UHFFFAOYSA-N, 1-(2-AMINO-5-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE HCL, s5423, SBB102247, AKOS015950822, AC-1096, CCG-267050, DS-19371, PD088092, SY030453, 4-Chloro-2-(trifluoroacetyl)aniline hydrochl, CS-0099280, O10257, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one, chloride, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanonehydrochloride, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrate hydrochloride

This chlorinated trifluoroacetyl aniline derivative serves as a key intermediate in the synthesis of bioactive molecules, particularly in developing novel antimicrobial and antitumor agents. Researchers utilize its reactive amino and carbonyl groups for constructing heterocyclic scaffolds in drug discovery programs. The compound has shown utility in preparing fluorinated quinoline and benzodiazepine analogs. Its electron-withdrawing trifluoromethyl group makes it valuable for studying structure-activity relationships in medicinal chemistry.

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