CAS 3038-47-9: 2-(Trifluoromethyl)benzeneacetonitrile
Formula:C9H6F3N
InChI:InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI key:InChIKey=QXDCZSJGEUSERL-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(CC#N)C=CC=C1
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
- 2-(Trifluoromethyl)phenylacetonitrile
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Found 5 products.
o-(Trifluoromethyl)benzyl cyanide
CAS: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.Formula:C9H6F3NPurity:Min. 95%Molecular weight:185.15 g/molRef: 3D-FT63954
Discontinued product2-(Trifluoromethyl)phenylacetonitrile
CAS:Formula:C9H6F3NPurity:97%Color and Shape:SolidMolecular weight:185.14582-(Trifluoromethyl)phenylacetonitrile
CAS:Formula:C9H6F3NPurity:>98.0%(GC)Color and Shape:White or Colorless to Yellow to Orange powder to lump to clear liquidMolecular weight:185.152-(Trifluoromethyl)phenylacetonitrile
CAS:2-(Trifluoromethyl)phenylacetonitrileFormula:C9H6F3NPurity:97%Color and Shape:SolidMolecular weight:185.15g/mol2-(Trifluoromethyl)phenylacetonitrile
CAS:Purity:98.0%Color and Shape:Solid, CrystallineMolecular weight:185.1490020751953
