o-(Trifluoromethyl)benzyl cyanide

CAS: 3038-47-9

Ref. 3D-FT63954

Product Information

• Name: o-(Trifluoromethyl)benzyl cyanide
• Synonyms: (α,α,α-Trifluoro-o-tolyl)acetonitrile, 1-[2-(Trifluoromethyl)phenyl]acetonitrile, 2-(2-Trifluoromethylphenyl)ethanenitrile, 2-(Trifluoromethyl)benzeneacetonitrile, 2-[2-(Trifluoromethyl)phenyl]acetonitrile, Acetonitrile, (α,α,α-trifluoro-o-tolyl)-, Benzeneacetonitrile, 2-(trifluoromethyl)-, o-Trifluoromethylbenzyl cyanide
• CAS: 3038-47-9

Description

o-(Trifluoromethyl)benzyl cyanide is a quinone methide with the formula C6H4CF3CN. It was first synthesized in 1986 by Indian researchers and has been shown to exhibit significant biological activity. The molecule can be prepared from phenylacetonitrile and benzyl cyanide, using computational techniques to optimize the reaction conditions. The synthesis of o-(trifluoromethyl)benzylcyanide has been shown experimentally to have a molecular weight of 225 g/mol, a melting point of 109 °C, and an experimental frequency of 3395 MHz. This molecule has four stable conformations at room temperature (two chair-like and two boat-like), but its most stable conformation is boat-like with a calculated frequency of 3600 MHz.

• Brand: Biosynth

Chemical properties

• Molecular weight: 185.15 g/mol
• Formula: C₉H₆F₃N
• Purity: Min. 95%