Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate |
EINECS | N/A |
CAS No. | 14678-87-6 | Density | 1.37 g/cm3 |
PSA | 70.14000 | LogP | 2.86580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12ClN3O2 | Boiling Point | 408.4 °C at 760 mmHg |
Molecular Weight | 265.699 | Flash Point | 200.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 6 |
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