-
Name
3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER
- EINECS
- CAS No. 1717-42-6
- Article Data8
- CAS DataBase
- Density 1.254 g/cm3
- Solubility
- Melting Point
- Formula C12H11F3O3
- Boiling Point 267.2 °C at 760 mmHg
- Molecular Weight 260.213
- Flash Point 111.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, (a,a,a-trifluoro-m-toluoyl)-, ethyl ester (7CI,8CI);3-(3-Trifluoromethylphenyl)-3-oxo-propionic acid ethyl ester;Ethyl2-(3-trifluoromethylbenzoyl)acetate;Ethyl3-(3-trifluoromethylphenyl)-3-oxopropanoate;
- PSA 43.37000
- LogP 2.84130
Ethyl (3-trifluoromethylbenzoyl)acetate Specification
The cas register number of Ethyl (3-trifluoromethylbenzoyl)acetate is 1717-42-6. It also can be called as Ethyl 3-[3-(trifluoromethyl)phenyl]-3-oxopropanoate and the Systematic name about this chemical is ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate. It belongs to the following product categories, such as C12 to C63, Carbonyl Compounds, Esters.
Physical properties about Ethyl (3-trifluoromethylbenzoyl)acetate are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.92; (4)ACD/BCF (pH 5.5): 98.6; (5)ACD/BCF (pH 7.4): 98; (6)ACD/KOC (pH 5.5): 930.69; (7)ACD/KOC (pH 7.4): 925.02; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 56.93 cm3; (13)Molar Volume: 207.4 cm3; (14)Polarizability: 22.57x10-24cm3; (15)Surface Tension: 32 dyne/cm; (16)Enthalpy of Vaporization: 50.52 kJ/mol; (17)Boiling Point: 267.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00829 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C(=O)CC(=O)OCC)c1
(2)InChI: InChI=1/C12H11F3O3/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15/h3-6H,2,7H2,1H3
(3)InChIKey: YCHPVUWFIZXXPI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15/h3-6H,2,7H2,1H3
(5)Std. InChIKey: YCHPVUWFIZXXPI-UHFFFAOYSA-N
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