Ethyl 5-cyano-1H-pyrazole-4-carboxylate supplier

Name
Ethyl 5-cyano-1H-pyrazole-4-carboxylate
EINECS
CAS No. 119741-57-0
Article Data5
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 148-150 °C
Formula C₇H₇N₃O₂
Boiling Point 403.46 °C at 760 mmHg
Molecular Weight 165.1494
Flash Point 197.806 °C
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Molecular Structure
Hazard Symbols
Synonyms 5-cyano-1H-pyrazole-4-carboxylic acid,ethyl ester;ethyl 5-cyanopyrazole-4-carboxylate;3-cyano-1H-pyrazole-4-carboxylic acid ethyl ester;5-cyano-1H-4-pyrazolecarboxylic acid,ethyl ester;
PSA 78.77000
LogP 0.45808

Ethyl 5-cyano-1H-pyrazole-4-carboxylate Specification

The Ethyl 5-cyano-1H-pyrazole-4-carboxylate has CAS registry number 119741-57-0. This chemical's molecular formula is C₇H₇N₃O₂ and molecular weight is 165.1494. What's more, its systematic name is Ethyl 5-cyano-1H-pyrazole-4-carboxylate.

Physical properties about Ethyl 5-cyano-1H-pyrazole-4-carboxylate are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24; (7)ACD/KOC (pH 7.4): 10; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 78.77 Å²; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 38.787 cm³; (14)Molar Volume: 125.15 cm³; (15)Polarizability: 15.376×10^-24 cm³; (16)Surface Tension: 63.92 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 197.806 °C; (19)Enthalpy of Vaporization: 65.476 kJ/mol; (20)Boiling Point: 403.46 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cnnc1C#N
(2) InChI: InChI=1/C7H7N3O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2H2,1H3,(H,9,10)
(3) InChIKey: YIFOMNFBIJFEFH-UHFFFAOYAT

Product Name

Ethyl 5-cyano-1H-pyrazole-4-carboxylate

Ethyl 5-cyano-1H-pyrazole-4-carboxylate Specification

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