Cas no 689174-84-3 (Benzonitrile, 2-(dimethylamino)-3-(trifluoromethyl)-)

Benzonitrile, 2-(dimethylamino)-3-(trifluoromethyl)- structure
689174-84-3 structure
Product Name:Benzonitrile, 2-(dimethylamino)-3-(trifluoromethyl)-
CAS No:689174-84-3
MF:C10H9F3N2
MW:214.187072515488
CID:1732411
Update Time:2024-11-27

Benzonitrile, 2-(dimethylamino)-3-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-(dimethylamino)-3-(trifluoromethyl)-
    • Inchi: 1S/C10H9F3N2/c1-15(2)9-7(6-14)4-3-5-8(9)10(11,12)13/h3-5H,1-2H3
    • InChI Key: AVSQXTQEQDEVEB-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC=CC(C(F)(F)F)=C1N(C)C

Computed Properties

  • Exact Mass: 214.07187

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Predicted)
  • Boiling Point: 261.1±40.0 °C(Predicted)
  • PSA: 27.03
  • pka: 1.45±0.36(Predicted)
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