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TCI

CAS 121-17-5

4-Chloro-3-nitrobenzotrifluoride TCI C0225

4-Chloro-3-nitrobenzotrifluoride TCI C0225

Chemical Identity

Other names
1-Chloro-2-nitro-4-(trifluoromethyl)benzene
CAS No.
121-17-5
Formula
C7H3ClF3NO2
Molecular weight
225.55 g/mol
Purity
>97.0%(GC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
1-chloro-2-nitro-4-(trifluoromethyl)benzene
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])Cl
InChIKey
TZGFQIXRVUHDLE-UHFFFAOYSA-N
MDL
MDL00007084
PubChem
CID 8462
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TCI C0225, 4-chloro-3-nitrobenzotrifluoride (CAS 121-17-5), combines a trifluoromethyl group with a nitro group and an aryl chloride, producing a strongly activated substrate for nucleophilic aromatic substitution under comparatively mild conditions. Phenoxides, amines, and thiolates displace the chloride cleanly, opening routes to CF₃-bearing diaryl ethers, diarylamines, and thioethers of the type frequently encountered in agrochemical and pharmaceutical research. Subsequent nitro reduction delivers trifluoromethylated anilines, valued for the metabolic stability and lipophilicity that the CF₃ group imparts. AMI Scientific supplies this liquid reagent in 25 g and 500 g packs; handle it in a fume hood and follow the official TCI SDS for full safety guidance.

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