3-(Trifluoromethyl)benzonitrile TCI C1003

Chemical Identity

Other names: 3-Cyanobenzotrifluoride · alpha,alpha,alpha-Trifluoro-m-tolunitrile
CAS No.: 368-77-4
PubChem: CID 67783·SID 87566047
Formula: C8H4F3N
Molecular weight: 171.12 g/mol
Purity: >98.0%(GC)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 3-(trifluoromethyl)benzonitrile
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C#N
InChIKey: OGOBINRVCUWLGN-UHFFFAOYSA-N
MDL: MDL00001807

Rp 1.510.950,00

~~Rp 1.072.050,00~~ Rp 1.510.950,00

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TCI C1003 3-(Trifluoromethyl)benzonitrile (CAS 368-77-4) is an electron-poor fluorinated building block bearing a trifluoromethyl group meta to the nitrile. The nitrile is readily converted into benzoic acids, benzylamines, tetrazoles, or aryl ketones, giving chemists several divergent routes from a single starting material. The CF₃ substituent is widely used to raise lipophilicity and improve metabolic stability in drug discovery and functional materials research. AMI Scientific supplies this TCI reagent in a 25 g pack; handle it in a fume hood and store it tightly closed in a cool, dry, well-ventilated place.

TCI brochures (PDF)

Fluorination Reagents, Fluorinated Building Blocks 2026-03-18 · p. 38

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Li et al. (2009). An Efficient Synthetic Process for Scale-Up Production of 4,5-Diamino-2-(trifluoromethyl)benzonitrile and 5-Bromo-3-(trifluoromethyl)benzene-1,2-diamine. Organic Process Research & Development doi:10.1021/op9000498
S. Valli Chitra et al. (2026). 3-Chloro-5-(trifluoromethyl)benzonitrile: Spectroscopic Progression and Evaluation by Density Functional Theory. Journal of Scientific Research doi:10.3329/jsr.v18i1.83645
Hu et al. (2008). ChemInform Abstract: (1R,2S)‐4‐(2‐Cyano‐cyclohexyl‐oxy)‐2‐trifluoromethyl‐benzonitrile, a Potent Androgen Receptor Antagonist for Stimulating Hair Growth and Reducing Sebum Production.. ChemInform doi:10.1002/chin.200806073

References were compiled automatically from Crossref and every DOI was verified to exist. AMI Scientific is not affiliated with the authors or the publishers.