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Cas Database |
| Name |
5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester |
EINECS | N/A |
| CAS No. | 7189-04-0 | Density | 1.13g/cm3 |
| PSA | 44.12000 | LogP | 4.02440 |
| Solubility | N/A | Melting Point |
105-106 oC |
| Formula | C19H18N2O2 | Boiling Point | 457.9 °C at 760 mmHg |
| Molecular Weight | 306.364 | Flash Point | 230.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ETHYL 5-METHYL-1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLATE;5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester; |
Article Data | 19 |
5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification
The 5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester with cas registry number of 7189-04-0, is also named ethyl 5-methyl-1,3-diphenyl-1h-pyrazole-4-carboxylate; 1H-pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, ethyl ester.
Physical properties of 5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 44.12 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 91.34 cm3; (9)Molar Volume: 270.4 cm3; (10)Polarizability: 36.21×10-24cm3; (11)Surface Tension: 41.7 dyne/cm; (12)Enthalpy of Vaporization: 71.82 kJ/mol; (13)Vapour Pressure: 1.43E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:O=C(OCC)c2c(nn(c1ccccc1)c2C)c3ccccc3; (2)InChI:InChI=1/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3; (3)InChIKey:VCPCQJHHHVITQW-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3; (5)Std. InChIKey:VCPCQJHHHVITQW-UHFFFAOYSA-N.
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