Benzenebutanoic acid,4-fluoro-b-oxo-, ethyl ester supplier

Name
4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 221121-37-5
Article Data14
CAS DataBase
Density 1.161 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃FO₃
Boiling Point 295.509 °C at 760 mmHg
Molecular Weight 224.232
Flash Point 128.353 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Fluorophenyl)-3-oxobutanoicacid ethyl ester;Ethyl 4-(4-fluorophenyl)-3-oxobutanoate;
PSA 43.37000
LogP 1.89050

Benzenebutanoic acid,4-fluoro-b-oxo-, ethyl ester Specification

The CAS register number of Benzenebutanoic acid,4-fluoro-b-oxo-, ethyl ester is 221121-37-5. It also can be called as 4-(4-Fluorophenyl)-3-oxobutanoicacid ethyl ester and the IUPAC name about this chemical is ethyl 4-(4-fluorophenyl)-3-oxobutanoate. The molecular formula about this chemical is C₁₂H₁₃FO₃ and the molecular weight is 224.23.

Physical properties about Benzenebutanoic acid,4-fluoro-b-oxo-, ethyl ester are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 47; (5)ACD/BCF (pH 7.4): 47; (6)ACD/KOC (pH 5.5): 547; (7)ACD/KOC (pH 7.4): 546; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 56.132 cm³; (13)Molar Volume: 193.089 cm³; (14)Polarizability: 22.252x10^-24cm³; (15)Surface Tension: 38.166 dyne/cm; (16)Density: 1.161 g/cm³; (17)Flash Point: 128.353 °C; (18)Enthalpy of Vaporization: 53.522 kJ/mol; (19)Boiling Point: 295.509 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CC(=O)CC(=O)OCC
(2)InChI: InChI=1/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
(3)InChIKey: QCQKQRINQDBSEZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
(5)Std. InChIKey: QCQKQRINQDBSEZ-UHFFFAOYSA-N

Product Name

4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

Benzenebutanoic acid,4-fluoro-b-oxo-, ethyl ester Specification

Related Products

Hot Products