Benzenepropanoic acid, α-acetyl-2-fluoro-, ethyl ester supplier

Name
2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER
EINECS
CAS No. 24106-86-3
Article Data1
CAS DataBase
Density 1.134 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅FO₃
Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 238.25
Flash Point 136.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, a-acetyl-o-fluoro-, ethyl ester(8CI);
PSA 43.37000
LogP 2.13650

Benzenepropanoic acid, α-acetyl-2-fluoro-, ethyl ester Specification

The Benzenepropanoic acid, α-acetyl-2-fluoro-, ethyl ester is an organic compound with the formula C₁₃H₁₅FO₃. The systematic name of this chemical is ethyl 2-(2-fluorobenzyl)-3-oxobutanoate. With the CAS registry number 24106-86-3, it is also named as 2-(2-Fluorobenzyl)acetoacetic acid ethyl ester.

Physical properties about Benzenepropanoic acid, α-acetyl-2-fluoro-, ethyl ester are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.57; (4)ACD/BCF (pH 5.5): 52.94; (5)ACD/BCF (pH 7.4): 52.93; (6)ACD/KOC (pH 5.5): 596.32; (7)ACD/KOC (pH 7.4): 596.19; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 60.72 cm³; (13)Molar Volume: 209.9 cm³; (14)Polarizability: 24.07×10^-24cm³; (15)Surface Tension: 36.7 dyne/cm; (16)Density: 1.134 g/cm³; (17)Flash Point: 136.6 °C; (18)Enthalpy of Vaporization: 55.04 kJ/mol; (19)Boiling Point: 309.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00063 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1CC(C(=O)C)C(=O)OCC
(2)InChI: InChI=1/C13H15FO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-7,11H,3,8H2,1-2H3
(3)InChIKey: FYIXPASNYHVDHS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C13H15FO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-7,11H,3,8H2,1-2H3
(5)Std. InChIKey: FYIXPASNYHVDHS-UHFFFAOYSA-N

Product Name

2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER

Benzenepropanoic acid, α-acetyl-2-fluoro-, ethyl ester Specification

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