Cas no 1296225-26-7 ([1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol)

[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol structure
1296225-26-7 structure
Product Name:[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol
CAS No:1296225-26-7
MF:C6H7F3N2O
MW:180.127791643143
MDL:MFCD15976765
CID:4582201
PubChem ID:60136443
Update Time:2024-11-02

[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol Chemical and Physical Properties

Names and Identifiers

    • (1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
    • [1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol
    • (1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)
    • [2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
    • [1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methan-1-ol
    • BCP26113
    • WBC22526
    • SBB073456
    • STL414902
    • ST45256166
    • W16202
    • 1296225-26-7
    • EN300-232494
    • DS-20178
    • MFCD15976765
    • AKOS015922624
    • EX-A2953
    • CS-0030815
    • 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-methanol
    • SCHEMBL16815632
    • DB-131391
    • MDL: MFCD15976765
    • Inchi: 1S/C6H7F3N2O/c7-6(8,9)4-11-5(3-12)1-2-10-11/h1-2,12H,3-4H2
    • InChI Key: OLEOSAFQUZVEJJ-UHFFFAOYSA-N
    • SMILES: FC(CN1C(CO)=CC=N1)(F)F

Computed Properties

  • Exact Mass: 180.05104734g/mol
  • Monoisotopic Mass: 180.05104734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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: 0.4
  • Topological Polar Surface Area: 38

Experimental Properties

  • Density: 1.41±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 229.2±40.0 oC (760 Torr),
  • Flash Point: 92.4±27.3 oC,
  • Solubility: Dissolution (45 g/l) (25 o C),

[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol Pricemore >>

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