5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
1H-pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, ethyl ester
EINECS
CAS No. 7189-04-0
Article Data19
CAS DataBase
Density 1.13g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ETHYL 5-METHYL-1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLATE;5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester;
PSA 44.12000
LogP 4.02440

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.

Product Name

1H-pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, ethyl ester

5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification

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