Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate supplier

Name
Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
EINECS
CAS No. 866837-96-9
Article Data9
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃N₃O₂
Boiling Point 413 °C at 760 mmHg
Molecular Weight 231.254
Flash Point 203.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate;5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
PSA 70.14000
LogP 2.21240

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Specification

The systematic name of this chemical is 1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester. With the CAS registry number 866837-96-9, it is also named as Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate; 5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester. The product's categories is pyrazole. It should avoid direct sunshine. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.609; (9)Molar Refractivity: 63.72 cm³; (10)Molar Volume: 183.9 cm³; (11)Polarizability: 25.26×10^-24 cm³; (12)Surface Tension: 48.8 dyne/cm; (13)Density: 1.25 g/cm³; (14)Flash Point: 203.6 °C; (15)Enthalpy of Vaporization: 66.57 kJ/mol; (16)Boiling Point: 413 °C at 760 mmHg; (17)Vapour Pressure: 4.96E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: CCOC(=O)c1cc(N)n(n1)c2ccccc2;
2. InChI: InChI=1/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3.

Product Name

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Specification

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