5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester
EINECS
CAS No. 98476-29-0
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃N₃O₂
Boiling Point 430.1 °C at 760 mmHg
Molecular Weight 255.27192
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-4-carboxylic acid,5-cyano-1-(4-methylphenyl)-,ethyl ester;5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester;I14-3338;ethyl 5-cyano-1-(4-methylphenyl)-4 pyrazolecarboxylate;Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate;5-Cyano-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid,ethyl ester;
PSA 67.91000
LogP 2.22908

5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification

The 5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester has CAS registry number 98476-29-0. This chemical's molecular formula is C₁₄H₁₃N₃O₂ and molecular weight is 255.27192. What's more, its systematic name is Ethyl 5-cyano-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate.

Physical properties about 5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.16; (6)ACD/BCF (pH 7.4): 91.16; (7)ACD/KOC (pH 5.5): 879.91; (8)ACD/KOC (pH 7.4): 879.91; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.91 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 72.76 cm³; (15)Molar Volume: 215.3 cm³; (16)Polarizability: 28.84×10^-24 cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 213.9 °C; (20)Enthalpy of Vaporization: 68.55 kJ/mol; (21)Boiling Point: 430.1 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c2cnn(c1ccc(C)cc1)c2C#N
(2) InChI: InChI=1/C14H13N3O2/c1-3-19-14(18)12-9-16-17(13(12)8-15)11-6-4-10(2)5-7-11/h4-7,9H,3H2,1-2H3
(3) InChIKey: QNLWYPHPPPTTNM-UHFFFAOYAH

Product Name

5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester

5-Cyano-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification

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