Cas no 628330-63-2 (1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-)

1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]- structure
628330-63-2 structure
Product Name:1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
CAS No:628330-63-2
MF:C14H13F3N2O
MW:282.261033773422
CID:1640645
Update Time:2024-09-12

1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
    • 1H-Pyrazole-4-carboxaldehyde, 3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
    • Inchi: 1S/C14H13F3N2O/c1-9(2)13-10(8-20)7-19(18-13)12-5-3-11(4-6-12)14(15,16)17/h3-9H,1-2H3
    • InChI Key: IWTQEBZOMNHAJX-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=C(C(F)(F)F)C=C2)C=C(C=O)C(C(C)C)=N1

Computed Properties

  • Exact Mass: 282.09809

Experimental Properties

  • Density: 1.24±0.1 g/cm3(Predicted)
  • Boiling Point: 349.5±42.0 °C(Predicted)
  • PSA: 34.89
  • pka: -2.61±0.10(Predicted)
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