Cas no 198348-94-6 (1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole)

1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole structure
198348-94-6 structure
Product Name:1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole
CAS No:198348-94-6
MF:C12H9F3N2O
MW:254.207873106003
MDL:MFCD00153639
CID:66515
PubChem ID:15322614
Update Time:2025-04-18

1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole
    • 1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
    • 1-ACETYL-5(3)-PHENYL-3(5)-TRIFLUOROMETHYLPYRAZOLE
    • 1-acetyl-3-phenyl-5-(trifluoromethyl)-1h-pyrazole
    • PC1972
    • 1-ACETYL-5(3)-PHENYL-3(5)-(TRIFLUOROMETHYL)PYRAZOLE
    • AKOS007930704
    • DTXSID30571450
    • 1-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
    • 198348-94-6
    • ZXYHOZFIJPZMTE-UHFFFAOYSA-N
    • 1-Acetyl-5(3)phenyl-3(5)-(trifluoromethyl)pyrazole
    • SCHEMBL1905828
    • FT-0643847
    • Ethanone, 1-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-
    • 1-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
    • 1-ACETYL-5(3)-PHENYL-3(5)-TRIFLUOROMETHYLPYRAZOLE 97%
    • MDL： MFCD00153639
    • Inchi： 1S/C12H9F3N2O/c1-8(18)17-11(12(13,14)15)7-10(16-17)9-5-3-2-4-6-9/h2-7H,1H3
    • InChI Key： ZXYHOZFIJPZMTE-UHFFFAOYSA-N
    • SMILES： FC(C1=CC(C2C=CC=CC=2)=NN1C(C)=O)(F)F

Computed Properties

  • Exact Mass: 254.06700
  • Monoisotopic Mass: 254.06669740g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 313
  • 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: 2.7
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Melting Point: 77°C
  • Boiling Point: 150°C 12mm
  • PSA: 34.89000
  • LogP: 3.22900

1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole Security Information

  • Hazard Statement： Irritant
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • Safety Term：S26-36/37/39
  • Risk Phrases：R36/37/38

1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole Pricemore >>

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