Product Name

  • Name

    1-(2',4',6'-Trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone

  • EINECS 263-916-1
  • CAS No. 63134-25-8
  • Density 1.69 g/cm
  • Solubility
  • Melting Point 311-315 °C
  • Formula C16H9Cl3N4O4
  • Boiling Point
  • Molecular Weight 427.631
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 63134-25-8 (1-(2',4',6'-Trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone)
  • Hazard Symbols
  • Synonyms Benzamide, N-(4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-3-nitro-;;N-(4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-3-nitrobenzamide;
  • PSA 107.59000
  • LogP 4.44990

1-(2',4',6'-Trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone Chemical Properties

IUPAC Name: 3-Nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Synonyms of 1-(2',4',6'-Trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone (CAS NO.63134-25-8): Benzamide, N-(4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-3-nitro- ; N-(4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-3-nitrobenzamide
CAS NO: 63134-25-8
Molecular Formula: C16H9Cl3N4O4
Molecular Weight: 427.63
Molecular Structure:
EINECS: 263-916-1
H bond acceptors: 8
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 98.8 Å2
Index of Refraction: 1.72
Molar Refractivity: 99.86 cm3
Molar Volume: 252.6 cm3
Surface Tension: 67.7 dyne/cm
Density: 1.69 g/cm
SMILES: [O-][N+](=O)c1cccc(c1)C(=O)N/C3=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C3
InChI: InChI=1/C16H9Cl3N4O4/c17-9-5-11(18)15(12(19)6-9)22-14(24)7-13(21-22)20-16(25)8-2-1-3-10(4-8)23(26)27/h1-6H,7H2,(H,20,21,25)
InChIKey: NVMCTYFWKJPYBA-UHFFFAOYAI
Std. InChI: InChI=1S/C16H9Cl3N4O4/c17-9-5-11(18)15(12(19)6-9)22-14(24)7-13(21-22)20-16(25)8-2-1-3-10(4-8)23(26)27/h1-6H,7H2,(H,20,21,25)
Std. InChIKey: NVMCTYFWKJPYBA-UHFFFAOYSA-N

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