Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-, ethyl ester supplier

Name
3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 110193-60-7
Article Data5
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point
Formula C₁₁H₉F₃O₃
Boiling Point 279.5 °C at 760 mmHg
Molecular Weight 246.186
Flash Point 119.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl oxo[3-(trifluoromethyl)phenyl]acetate;Ethyl (3-Trifluoromethylphenyl)glyoxylate;Ethyl 3-trifluoromethylbenzoylacetate;
PSA 43.37000
LogP 2.45120

Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-, ethyl ester Specification

The Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-, ethyl ester, with the CAS registry number 110193-60-7, is also known as Ethyl 3-trifluoromethylbenzoylacetate. It belongs to the product category of Benzoic acid. This chemical's molecular formula is C₁₁H₉F₃O₃ and molecular weight is 246.18. What's more, its systematic name is ethyl oxo[3-(trifluoromethyl)phenyl]acetate.

Physical properties of Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/BCF (pH 5.5): 87.24; (5)ACD/KOC (pH 5.5): 852.68; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 43.37 Å²; (10)Index of Refraction: 1.459; (11)Molar Refractivity: 52.3 cm³; (12)Molar Volume: 190.9 cm³; (13)Surface Tension: 31.9 dyne/cm; (14)Density: 1.289 g/cm³; (15)Flash Point: 119.1 °C; (16)Enthalpy of Vaporization: 51.82 kJ/mol; (17)Boiling Point: 279.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00399 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C(=O)C(=O)OCC)c1
(2)InChI: InChI=1S/C11H9F3O3/c1-2-17-10(16)9(15)7-4-3-5-8(6-7)11(12,13)14/h3-6H,2H2,1H3
(3)InChIKey: OYMTUYSGHGBXRS-UHFFFAOYSA-N

Product Name

3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER

Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-, ethyl ester Specification

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