4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester supplier

Name
4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester
EINECS
CAS No. 221122-22-1
Article Data3
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃ClO₃
Boiling Point 320.591 °C at 760 mmHg
Molecular Weight 240.68
Flash Point 125.989 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-(3-chlorophenyl)-3-oxobutanoate;
PSA 43.37000
LogP 2.40480

4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester Specification

The 4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester, with the CAS registry number 221122-22-1, belongs to the product categoriy of Pharmacetical. This chemical's molecular formula is C₁₂H₁₃ClO₃ and molecular weight is 240.68. What's more, its systematic name is Ethyl 4-(3-chlorophenyl)-3-oxobutanoate.

Physical properties about 4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 121; (6)ACD/BCF (pH 7.4): 121; (7)ACD/KOC (pH 5.5): 1081; (8)ACD/KOC (pH 7.4): 1079; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 61.033 cm³; (15)Molar Volume: 200.83 cm³; (16)Polarizability: 24.195×10^-24 cm³; (17)Surface Tension: 41.157 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 125.989 °C; (20)Enthalpy of Vaporization: 56.228 kJ/mol; (21)Boiling Point: 320.591 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1)CC(=O)CC(=O)OCC
(2) InChI: InChI=1/C12H13ClO3/c1-2-16-12(15)8-11(14)7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
(3) InChIKey: FWNXDGGKZYXZFO-UHFFFAOYAL

Product Name

4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester

4-(3-Chloro-phenyl)-3-oxo-butyric acid ethyl ester Specification

Related Products

Hot Products