Ethyl 4-(2-fluorophenyl)-4-oxobutyrate supplier

Name
Ethyl 4-(2-fluorophenyl)-4-oxobutyrate
EINECS
CAS No. 898753-32-7
Density 1.151 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃FO₃
Boiling Point 324.2 °C at 760 mmHg
Molecular Weight 224.232
Flash Point 145 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-(2-fluorophenyl)-4-oxo-butanoate;
PSA 43.37000
LogP 2.35170

Ethyl 4-(2-fluorophenyl)-4-oxobutyrate Specification

With the CAS registry number 898753-32-7, the systematic name of Ethyl 4-(2-fluorophenyl)-4-oxobutyrate is ethyl 4-(2-fluorophenyl)-4-oxo-butanoate. In addition, its molecular formula is C₁₂H₁₃FO₃ and molecular weight is 224.23.

The other characteristics of Ethyl 4-(2-fluorophenyl)-4-oxobutyrate can be summarized as: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 43.37 Å²; (9)Index of Refraction: 1.493; (10)Molar Refractivity: 56.58 cm³; (11)Molar Volume: 194.6 cm³; (12)Polarizability: 22.43×10^-24cm³; (13)Surface Tension: 38 dyne/cm; (14)Density: 1.151 g/cm³; (15)Flash Point: 145 °C; (16)Enthalpy of Vaporization: 56.62 kJ/mol; (17)Boiling Point: 324.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00025 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(CCC(=O)OCC)c1ccccc1F
(2)InChI: InChI=1/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
(3)InChIKey: NIHGNYNVGSYZIG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
(5)Std. InChIKey: NIHGNYNVGSYZIG-UHFFFAOYSA-N

Product Name

Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

Ethyl 4-(2-fluorophenyl)-4-oxobutyrate Specification

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