-
Name
5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- EINECS
- CAS No. 129768-30-5
- Article Data7
- CAS DataBase
- Density 1.397 g/cm3
- Solubility Slightly soluble in water.
- Melting Point 95 °C
- Formula C7H7F3N2O2
- Boiling Point 288.5 °C at 760 mmHg
- Molecular Weight 208.14
- Flash Point 128.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Ethyl 3-(trifluoromethyl)pyrazole-5-carboxylate;
- PSA 54.98000
- LogP 1.60520
1H-Pyrazole-3-carboxylicacid, 5-(trifluoromethyl)-, ethyl ester Specification
The 1H-Pyrazole-3-carboxylicacid, 5-(trifluoromethyl)-, ethyl ester, with the CAS registry number of 129768-30-5, is also known as Ethyl 3-(trifluoromethyl)pyrazole-5-carboxylate. It belongs to the product category of Pharmacetical. Its molecular formula is C7H7F3N2O2 and molecular weight is 208.14. What's more, its systematic name is Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate.
Physical properties about the 1H-Pyrazole-3-carboxylicacid, 5-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 15.74; (6)ACD/BCF (pH 7.4): 9.79; (7)ACD/KOC (pH 5.5): 249.69; (8)ACD/KOC (pH 7.4): 155.27; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 40.16 cm3; (15)Molar Volume: 148.8 cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 1.397 g/cm3; (18)Flash Point: 128.3 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 288.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00232 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1nnc(c1)C(F)(F)F
(2) InChI: InChI=1/C7H7F3N2O2/c1-2-14-6(13)4-3-5(12-11-4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
(3) InChIKey: AKFFNTKRAYWFRN-UHFFFAOYAH
Related Products
- 1H-Pyrazole-3-carboxylicacid, 1-(3-aminophenyl)-4,5-dihydro-5-oxo-
- 1H-Pyrazole-3-carboxylicacid, 1-methyl-, ethyl ester
- 1H-Pyrazole-3-carboxylicacid, 1-methyl-4-nitro-
- 1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)-
- 1H-Pyrazole-3-carboxylicacid, 1-methyl-5-phenyl-
- 1H-Pyrazole-3-carboxylicacid, 1-phenyl-5-(2-thienyl)-
- 1H-Pyrazole-3-carboxylicacid, 2, 5-dihydro-5-oxo-, methyl ester
- 1H-Pyrazole-3-carboxylicacid, 4-chloro-
- 1H-Pyrazole-3-carboxylicacid, 4-phenyl-
- 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester
- 129783-35-3
- 129783-50-2
- 129787-63-9
- 129787-64-0
- 129787-66-2
- 129787-67-3
- 129791-92-0
- 129-79-3
- 129799-08-2
- 129799-11-7
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View