Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate |
EINECS | N/A |
CAS No. | 175137-38-9 | Density | 1.37 g/cm3 |
PSA | 44.12000 | LogP | 3.20690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H10F4N2O2 | Boiling Point | 350.9 °C at 760 mmHg |
Molecular Weight | 302.228 | Flash Point | 166 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate; |
Article Data | 4 |
The Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate, with the CAS registry number 175137-38-9, is also known as 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester. This chemical's molecular formula is C13H10F4N2O2 and molecular weight is 302.22. What's more, its IUPAC name is Ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 348.72; (6)ACD/BCF (pH 7.4): 348.72; (7)ACD/KOC (pH 5.5): 2298.86; (8)ACD/KOC (pH 7.4): 2298.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 66.43 cm3; (15)Molar Volume: 220.2 cm3; (16)Polarizability: 26.33×10-24 cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 166 °C; (20)Enthalpy of Vaporization: 59.56 kJ/mol; (21)Boiling Point: 350.9 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2c(cnn2c1ccc(F)cc1)C(=O)OCC
(2) InChI: InChI=1/C13H10F4N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
(3) InChIKey: WTDWKMYSOQGLIX-UHFFFAOYAH