CAS No.14678-86-5,5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14678-86-5
Name:	5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Article Data:	2

Formula:	C₁₂H₁₂ClN₃O₂
Molecular Weight:	265.7
Synonyms:	5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylate;
Density:	1.37 g/cm³
Melting Point:	83-84 °C
Boiling Point:	415.9 °C at 760 mmHg
Flash Point:	205.3 °C
PSA:	70.14000
LogP:	2.86580

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Specification

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-chlorophenyl)-, ethyl ester, with the CAS registry number 14678-86-5, is also known as 5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₂H₁₂ClN₃O₂ and molecular weight is 265.7. What's more, its systematic name is ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-chlorophenyl)-, ethyl ester are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 47.36 Å²; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 68.33 cm³; (9)Molar Volume: 193.3 cm³; (10)Polarizability: 27.08×10^-24cm³; (11)Surface Tension: 50.4 dyne/cm; (12)Density: 1.37 g/cm³; (13)Flash Point: 205.3 °C; (14)Enthalpy of Vaporization: 66.91 kJ/mol; (15)Boiling Point: 415.9 °C at 760 mmHg; (16)Vapour Pressure: 3.97E-07 mmHg at 25°C.

Uses of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-chlorophenyl)-, ethyl ester: it can be used to produce 1(4)H-benzo[4,5]imidazo[1,2-b]pyrazole-3-carboxylic acid ethyl ester by heating. It will need reagents K₂CO₃, CuO and solvent dimethylformamide with the reaction time of 74 hours. The yield is about 42%.

1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-chlorophenyl)-, ethyl ester can be used to produce 1(4)H-benzo[4,5]imidazo[1,2-b]pyrazole-3-carboxylic acid ethyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1n2ncc(c2N)C(=O)OCC
(2)InChI: InChI=1S/C12H12ClN3O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2,14H2,1H3
(3)InChIKey: MYSGEOHNZFEZDQ-UHFFFAOYSA-N