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TCI

CAS 455-18-5

4-(Trifluoromethyl)benzonitrile TCI C1005

4-(Trifluoromethyl)benzonitrile TCI C1005

Chemical Identity

Other names
4-Cyanobenzotrifluoride · alpha,alpha,alpha-Trifluoro-p-tolunitrile
CAS No.
455-18-5
Formula
C8H4F3N
Molecular weight
171.12 g/mol
Purity
>98.0%(GC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
4-(trifluoromethyl)benzonitrile
SMILES
C1=CC(=CC=C1C#N)C(F)(F)F
InChIKey
DRNJIKRLQJRKMM-UHFFFAOYSA-N
MDL
MDL00001826
PubChem
CID 67995
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TCI C1005 4-(Trifluoromethyl)benzonitrile (CAS 455-18-5) is the para isomer of the trifluoromethylbenzonitrile family, giving a linear, electron-poor aromatic building block with a well-defined dipole. Its nitrile group is readily converted into 4-(trifluoromethyl)benzoic acid, the corresponding benzylamine, tetrazoles, or aryl ketones via organometallic addition. The absence of steric interaction between the two substituents makes reactions on this scaffold clean and predictable, which suits routine synthetic work. AMI Scientific offers 5 g and 25 g packs; handle in a fume hood and store tightly closed in a cool, dry, well-ventilated place.

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