Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate supplier

Name
Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
EINECS
CAS No. 175137-38-9
Article Data4
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀F₄N₂O₂
Boiling Point 350.9 °C at 760 mmHg
Molecular Weight 302.228
Flash Point 166 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate;
PSA 44.12000
LogP 3.20690

Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate Specification

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

Product Name

Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate

Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate Specification

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