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

Name
5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
EINECS
CAS No. 33090-55-0
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 32-34 °C
Formula C₈H₉N₃O₂
Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 179.18
Flash Point 163.9 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate;5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester;
PSA 67.91000
LogP 0.46848

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

The 1H-Pyrazole-4-carboxylic acid, 5-cyano-1-methyl-, ethyl ester, with the CAS registry number 33090-55-0, is also known as 5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₈H₉N₃O₂ and molecular weight is 179.18. What's more, its systematic name is ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylic acid, 5-cyano-1-methyl-, ethyl ester are: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.57; (8)ACD/KOC (pH 7.4): 20.57; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.91 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 47.65 cm³; (15)Molar Volume: 147.1 cm³; (16)Polarizability: 18.89×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 163.9 °C; (20)Enthalpy of Vaporization: 59.16 kJ/mol; (21)Boiling Point: 347.4 °C at 760 mmHg; (22)Vapour Pressure: 5.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(C(=O)OCC)cnn1C
(2)InChI: InChI=1S/C8H9N3O2/c1-3-13-8(12)6-5-10-11(2)7(6)4-9/h5H,3H2,1-2H3
(3)InChIKey: JMOPFCBJDZNXEV-UHFFFAOYSA-N

Product Name

5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

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

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