Cas no 2097982-51-7 (1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile)

1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile structure
2097982-51-7 structure
Product Name:1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
CAS No:2097982-51-7
MF:C6H2F5N3
MW:211.09219789505
CID:5725239
PubChem ID:121210649
Update Time:2023-10-27

1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(difluoromethyl)-5-(trifluoromethyl)pyrazole-3-carbonitrile
    • 1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
    • F2198-0166
    • 2097982-51-7
    • AKOS026720726
    • 1H-Pyrazole-5-carbonitrile, 1-(difluoromethyl)-3-(trifluoromethyl)-
    • Inchi: 1S/C6H2F5N3/c7-5(8)14-3(2-12)1-4(13-14)6(9,10)11/h1,5H
    • InChI Key: MNVNIUGZYPGAOE-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C#N)N(C(F)F)N=1)(F)F

Computed Properties

  • Exact Mass: 211.01688789g/mol
  • Monoisotopic Mass: 211.01688789g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.58±0.1 g/cm3(Predicted)
  • Boiling Point: 205.7±40.0 °C(Predicted)
  • pka: -8.58±0.19(Predicted)

1-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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