Cas no 1006348-71-5 (2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile)

2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile structure
1006348-71-5 structure
Product Name:2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile
CAS No:1006348-71-5
MF:C6H4F3N3
MW:175.111270904541
MDL:MFCD04969709
CID:1037436
PubChem ID:19576740
Update Time:2025-04-20

2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile
    • 3-(trifluoromethyl)-1H-Pyrazole-1-acetonitrile
    • NULL
    • (3-Trifluoromethyl-pyrazol-1-yl)-acetonitrile
    • 2-[3-(trifluoromethyl)pyrazolyl]ethanenitrile
    • CTK7D0533
    • MolPort-000-891-018
    • SBB021950
    • STK349588
    • [3-(Trifluoromethyl)-1H-pyrazol-1-yl]acetonitrile
    • 2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile
    • 1006348-71-5
    • DA-19425
    • CS-0270812
    • 677715-93-4
    • DB-346041
    • EN300-229466
    • DTXSID10598867
    • 2-[3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]ACETONITRILE
    • A898756
    • AKOS000309844
    • 2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetonitrile
    • BBL039938
    • MDL: MFCD04969709
    • Inchi: 1S/C6H4F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,4H2
    • InChI Key: AQADPWZHQLIOPU-UHFFFAOYSA-N
    • SMILES: FC(C1C=CN(CC#N)N=1)(F)F

Computed Properties

  • Exact Mass: 175.03573163g/mol
  • Monoisotopic Mass: 175.03573163g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 204
  • 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: 1
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 237.2±40.0 oC (760 Torr),
  • Flash Point: 97.3±27.3 oC,
  • Solubility: Slightly soluble (2.8 g/l) (25 o C),

2-3-(trifluoromethyl)-1H-pyrazol-1-ylacetonitrile Pricemore >>

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