Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate supplier

Name
ETHYL 2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-OXOACETATE
EINECS
CAS No. 402568-10-9
Article Data4
CAS DataBase
Density 1.399 g/cm³
Solubility
Melting Point
Formula C₁₂H₈F₆O₃
Boiling Point 276.3 °C at 760 mmHg
Molecular Weight 314.18
Flash Point 117.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl[3,5-bis(trifluoromethyl)benzoyl]formate;Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate;
PSA 43.37000
LogP 3.47000

Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate Specification

The CAS register number of Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate is 402568-10-9. It also can be called as Benzeneacetic acid, a-oxo-3,5-bis(trifluoromethyl)-,ethyl ester and the systematic name about this chemical is ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate. It belongs to the following product categories, such as Esters, Phenyls & Phenyl-Het and so on.

Physical properties about Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate are: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 4.19; (3)ACD/LogD (pH 7.4): 4.19; (4)ACD/BCF (pH 5.5): 903.39; (5)ACD/BCF (pH 7.4): 903.39; (6)ACD/KOC (pH 5.5): 4543.75; (7)ACD/KOC (pH 7.4): 4543.75; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37Å²; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 57.28 cm³; (13)Molar Volume: 224.4 cm³; (14)Polarizability: 22.7x10^-24cm³; (15)Surface Tension: 26.8 dyne/cm; (16)Flash Point: 117.2 °C; (17)Enthalpy of Vaporization: 51.48 kJ/mol; (18)Boiling Point: 276.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00484 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)C(=O)OCC
(2)InChI: InChI=1/C12H8F6O3/c1-2-21-10(20)9(19)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,2H2,1H3
(3)InChIKey: ZOKKCCACHYBHRS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H8F6O3/c1-2-21-10(20)9(19)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,2H2,1H3
(5)Std. InChIKey: ZOKKCCACHYBHRS-UHFFFAOYSA-N

Product Name

ETHYL 2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-OXOACETATE

Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate Specification

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