2-(Trifluoromethyl)benzonitrile TCI C1004

Chemical Identity

Other names: 2-Cyanobenzotrifluoride · alpha,alpha,alpha-Trifluoro-o-tolunitrile
CAS No.: 447-60-9
PubChem: CID 67972·SID 87566048
Formula: C8H4F3N
Molecular weight: 171.12 g/mol
Purity: >98.0%(GC)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2-(trifluoromethyl)benzonitrile
SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F
InChIKey: SOZGHDCEWOLLHV-UHFFFAOYSA-N
MDL: MDL00001791

Rp 875.700,00

~~Rp 627.900,00~~ Rp 875.700,00

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Berat 5g 25g

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TCI C1004 2-(Trifluoromethyl)benzonitrile (CAS 447-60-9) is the ortho isomer of the trifluoromethylbenzonitrile series, placing the CF₃ group directly adjacent to the nitrile. This proximity provides both steric and electronic influence and enables intramolecular cyclisations that the meta and para isomers cannot offer. The nitrile can also be converted into benzoic acids, amides, benzylamines, amidines, or tetrazoles depending on the synthetic route. AMI Scientific stocks 5 g and 25 g packs; handle the material in a fume hood and store it tightly closed in a cool, dry, well-ventilated place.

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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.