Chem
J-GLOBAL ID：200907053637129305   Nikkaji number：J2.110.242C

4,5-Bis[3-(trifluoromethyl)phenyl]phthalonitrile

4,5-ビス[3-(トリフルオロメチル)フェニル]フタロニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H10F6N2
Molecular formula furigana： C22-H10-F6-N2
Molecular weight： 416.326
InChI： InChI=1S/C22H10F6N2/c23-21(24,25)17-5-1-3-13(7-17)19-9-15(11-29)16(12-30)10-20(19)14-4-2-6-18(8-14)22(26,27)28/h1-10H
InChI key： GEOZHALBPRKTDC-UHFFFAOYSA-N
SMILES： FC(F)(F)c1cccc(c1)c1cc(C#N)c(cc1c1cccc(c1)C(F)(F)F)C#N
Systematic name  (3)：
  • 4,5-ビス[3-(トリフルオロメチル)フェニル]フタロニトリル
  • 3'-(トリフルオロメチル)-6-[3-(トリフルオロメチル)フェニル]-[1,1'-ビフェニル]-3,4-ジカルボニトリル
  • 3'-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-[1,1'-biphenyl]-3,4-dicarbonitrile
Other name (1)：
  • 4,5-Bis[3-(trifluoromethyl)phenyl]phthalonitrile
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