Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate supplier

Name
ETHYL 5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
EINECS
CAS No. 15001-08-8
Article Data7
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 115-117 °C
Formula C₁₂H₁₂ClN₃O₂
Boiling Point 419.5 °C at 760 mmHg
Molecular Weight 265.699
Flash Point 207.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carboxylicacid, 5-amino-1-(m-chlorophenyl)-, ethyl ester (8CI);Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate;Ethyl 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxylate;
PSA 70.14000
LogP 2.86580

Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate Specification

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(3-chlorophenyl)-, ethyl ester, with the CAS registry number 15001-08-8, is also known as Ethyl 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxylate. This chemical's molecular formula is C₁₂H₁₂ClN₃O₂ and molecular weight is 265.7. What's more, its systematic name is ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(3-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: 207.5 °C; (14)Enthalpy of Vaporization: 67.32 kJ/mol; (15)Boiling Point: 419.5 °C at 760 mmHg; (16)Vapour Pressure: 3.04E-07 mmHg at 25°C.

Uses of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(3-chlorophenyl)-, ethyl ester: it can be used to produce 1-(3-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester by heating. It will need reagent isopentyl nitrite and solvent tetrahydrofuran with the reaction time of 16 hours. The yield is about 73%.

1H-Pyrazole-4-carboxylicacid, 5-amino-1-(3-chlorophenyl)-, ethyl ester can be used to produce 1-(3-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1)n2ncc(c2N)C(=O)OCC
(2)InChI: InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3
(3)InChIKey: CQYOTMSWCKDYTD-UHFFFAOYSA-N

Product Name

ETHYL 5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE

Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate Specification

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