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CAS No.: | 58101-23-8 |
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Name: | ETHYL 2,4-DIFLUOROBENZOYLACETATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H10F2O3 |
Molecular Weight: | 228.195 |
Synonyms: | 3-(2,4-Difluorophenyl)-3-oxopropanoicacid ethyl ester;Ethyl 2,4-difluorobenzoylacetate; |
Density: | 1.251 g/cm3 |
Boiling Point: | 276 °C at 760 mmHg |
Flash Point: | 117.1 °C |
PSA: | 43.37000 |
LogP: | 2.10070 |
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The CAS register number of Ethyl 2,4-difluorobenzoylacetate is 58101-23-8. It also can be called as Benzenepropanoic acid,2,4-difluoro-b-oxo-,ethyl ester and the systematic name about this chemical is ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate. The molecular formula about this chemical is C11H10F2O3 and the molecular weight is 228.19.
Physical properties about Ethyl 2,4-difluorobenzoylacetate are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.56; (5)ACD/BCF (pH 7.4): 9.54; (6)ACD/KOC (pH 5.5): 175.17; (7)ACD/KOC (pH 7.4): 174.74; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 51.94 cm3; (13)Molar Volume: 182.3 cm3; (14)Polarizability: 20.59x10-24cm3; (15)Surface Tension: 37.3 dyne/cm; (16)Enthalpy of Vaporization: 51.45 kJ/mol; (17)Boiling Point: 276 °C at 760 mmHg; (18)Vapour Pressure: 0.00492 mmHg at 25°C.
You can still convert the following datas into molecular structure:(1)SMILES: O=C(c1ccc(F)cc1F)CC(=O)OCC
(2)InChI: InChI=1/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
(3)InChIKey: UFAHWLKYHPRYSY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
(5)Std. InChIKey: UFAHWLKYHPRYSY-UHFFFAOYSA-N