CAS 779-16-8

2-Cyano-4-(trifluoromethyl)benzoic acid

Description:

2-Cyano-4-(trifluoromethyl)benzoic acid, with the CAS number 779-16-8, is an aromatic compound characterized by the presence of a cyano group (-CN) and a trifluoromethyl group (-CF3) attached to a benzoic acid structure. This compound typically appears as a white to off-white solid and is known for its relatively high melting point. It is soluble in organic solvents such as acetone and dimethyl sulfoxide, but has limited solubility in water. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing its reactivity and making it useful in various chemical syntheses, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the cyano group contributes to its acidity and can participate in nucleophilic reactions. Due to its specific functional groups, 2-Cyano-4-(trifluoromethyl)benzoic acid is of interest in research and industrial applications, particularly in the fields of organic synthesis and materials science. Safety precautions should be observed when handling this compound, as it may pose health risks.

Formula: C₉H₄F₃NO₂

InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)6-1-2-7(8(14)15)5(3-6)4-13/h1-3H,(H,14,15)

InChI key: InChIKey=YQFNCIRXMGQFLW-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C(O)=O)C=CC(C(F)(F)F)=C1

Synonyms:

• 2-Cyano-4-(trifluoromethyl)benzoic acid
• p-Toluic acid, 2-cyano-α,α,α-trifluoro-
• Benzoic acid, 2-cyano-4-(trifluoromethyl)-

2-Cyano-4-(trifluoromethyl)benzoic acid

CAS: 779-16-8

Versatile small molecule scaffold

Formula: C₉H₄F₃NO₂

Purity: Min. 95%

Molecular weight: 215.13 g/mol

Ref: 3D-AAA77916