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| Name |
1-(2',4',6'-Trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone |
EINECS | 263-916-1 |
| CAS No. | 63134-25-8 | Density | 1.69 g/cm3 |
| PSA | 107.59000 | LogP | 4.44990 |
| Solubility | N/A | Melting Point |
311-315 °C |
| Formula | C16H9Cl3N4O4 | Boiling Point | N/A |
| Molecular Weight | 427.631 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
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/cm3
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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