IUPAC Name: 5-(2-chloro-5-nitroanilino)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
Empirical Formula: C15H8Cl4N4O3
Molecular Weight: 434.061
EINECS: 250-303-9
Structure of 3H-Pyrazol-3-one,5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)- (CAS NO.30707-68-7):
Index of Refraction: 1.727
Molar Refractivity: 99 cm3
Molar Volume: 248.5 cm3
Polarizability: 39.24×10-24cm3
Surface Tension: 66.2 dyne/cm
Density: 1.74 g/cm3
Flash Point: 279.6 °C
Enthalpy of Vaporization: 81.59 kJ/mol
Boiling Point: 538.7 °C at 760 mmHg
Vapour Pressure: 1.13E-11 mmHg at 25°C
Canonical SMILES: C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C15H8Cl4N4O3/c16-7-3-10(18)15(11(19)4-7)22-14(24)6-13(21-22)20-12-5-8(23(25)26)1-2-9(12)17/h1-5H,6H2,(H,20,21)
InChIKey: KONNKNHQEUEYPZ-UHFFFAOYSA-N
3H-Pyrazol-3-one,5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)- , its cas register number is 30707-68-7. It also can be called 5-[(2-Chloro-5-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one ; 1-(2,4,6-Trichlorophenyl)-3-(2-chloro-5-nitroanilino)-5-pyrazolinone ; 3-(2-Chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)pyrazolone .
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