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

Name
5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 14678-87-6
Article Data6
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂ClN₃O₂
Boiling Point 408.4 °C at 760 mmHg
Molecular Weight 265.699
Flash Point 200.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylicacid ethyl ester;Pyrazole-4-carboxylicacid, 5-amino-1-(p-chlorophenyl)-, ethyl ester (6CI,7CI,8CI);Ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate;
PSA 70.14000
LogP 2.86580

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

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-chlorophenyl)-, ethyl ester, with the CAS registry number 14678-87-6, is also known as 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylicacid 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-(4-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)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 125.13; (6)ACD/BCF (pH 7.4): 125.13; (7)ACD/KOC (pH 5.5): 1103.85; (8)ACD/KOC (pH 7.4): 1103.85; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 68.33 cm³; (15)Molar Volume: 193.3 cm³; (16)Polarizability: 27.08×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 66.05 kJ/mol; (21)Boiling Point: 408.4 °C at 760 mmHg; (22)Vapour Pressure: 7.01E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(n1ncc(c1N)C(=O)OCC)cc2
(2)InChI: InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
(3)InChIKey: IWCZALNAGZMKIV-UHFFFAOYSA-N

Product Name

5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

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

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