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Name |
1H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester |
EINECS | N/A |
CAS No. | 1128268-02-9 | Density | 1.328 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H20N2O4 | Boiling Point | 565.1 °C at 760 mmHg |
Molecular Weight | 377.323 | Flash Point | 295.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ethyl 1-(diphenylamino)-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate; |
Article Data | 4 |
Molecular Structure of 1H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester (CAS NO.1128268-02-9):
Empirical Formula: C25H20N2O4
Molecular Weight: 412.4373
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 66.92Å2
Index of Refraction: 1.667
Molar Refractivity: 115.59 cm3
Molar Volume: 310.4 cm3
Surface Tension: 61.9 dyne/cm
Density: 1.328 g/cm3
Flash Point: 295.6 °C
Enthalpy of Vaporization: 84.89 kJ/mol
Boiling Point: 565.1 °C at 760 mmHg
Vapour Pressure: 8.57E-13 mmHg at 25°C
SMILES: O=C(OCC)C\4=C(/c1ccccc1)N(N(c2ccccc2)c3ccccc3)C(=O)C/4=O
InChI: InChI=1/C25H20N2O4/c1-2-31-25(30)21-22(18-12-6-3-7-13-18)27(24(29)23(21)28)26(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
Synonyms: ethyl 1-(diphenylamino)-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate