Benzenepropanoic acid, β-oxo-4-(trifluoromethoxy)-, ethylester supplier

Name
ETHYL 3-OXO-3-(4-(TRIFLUOROMETHOXY)PHENYL)PROPANOATE
EINECS
CAS No. 252955-06-9
Article Data4
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁F₃O₄
Boiling Point 296.687 °C at 760 mmHg
Molecular Weight 276.21
Flash Point 129.035 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ETHYL 3-[4-(TRIFLUOROMETHOXY)-PHENYL]-3-OXOPROPANOATE;ETHYL 3-OXO-3-(4-(TRIFLUOROMETHOXY)PHENYL)PROPANOATE
PSA 52.60000
LogP 2.72110

Benzenepropanoic acid, β-oxo-4-(trifluoromethoxy)-, ethylester Specification

The Benzenepropanoic acid, β-oxo-4-(trifluoromethoxy)-, ethylester is an organic compound with the formula C₁₂H₁₁F₃O₄. The systematic name of this chemical is ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate. With the CAS registry number 252955-06-9, it is also named as 2,2,2-Trifluoroethylmethanesulphonate.

Physical properties about Benzenepropanoic acid, β-oxo-4-(trifluoromethoxy)-, ethylester are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 108; (5)ACD/BCF (pH 7.4): 107; (6)ACD/KOC (pH 5.5): 997; (7)ACD/KOC (pH 7.4): 987; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 59.09 cm³; (13)Molar Volume: 214.36 cm³; (14)Polarizability: 23.425×10^-24cm³; (15)Surface Tension: 33.792 dyne/cm; (16)Density: 1.289 g/cm³; (17)Flash Point: 129.035 °C; (18)Enthalpy of Vaporization: 53.648 kJ/mol; (19)Boiling Point: 296.687 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)CC(=O)OCC
(2)InChI: InChI=1/C12H11F3O4/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6H,2,7H2,1H3
(3)InChIKey: OZDBXRIZLMRCIX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H11F3O4/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6H,2,7H2,1H3
(5)Std. InChIKey: OZDBXRIZLMRCIX-UHFFFAOYSA-N

Product Name

ETHYL 3-OXO-3-(4-(TRIFLUOROMETHOXY)PHENYL)PROPANOATE

Benzenepropanoic acid, β-oxo-4-(trifluoromethoxy)-, ethylester Specification

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