Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Ethyl (4-chlorobenzoyl)acetate

Related Products

Hot Products

Name

Ethyl (4-chlorobenzoyl)acetate

EINECS N/A
CAS No. 2881-63-2 Density 1.219 g/cm3
PSA 43.37000 LogP 2.47590
Solubility N/A Melting Point 38 °C(Solv: ethanol (64-17-5))
Formula C11H11ClO3 Boiling Point 314.1 °C at 760 mmHg
Molecular Weight 226.66 Flash Point 128.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2881-63-2 (3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER) Hazard Symbols N/A
Synonyms

Aceticacid, (p-chlorobenzoyl)-, ethyl ester (7CI,8CI);3-(4-Chlorophenyl)-3-oxopropanoic acid ethyl ester;4-Chlorobenzoylacetic acidethyl ester;Ethyl (p-chlorobenzoyl) acetate;Ethyl 2-(4-chlorobenzoyl)acetate;Ethyl 3-(4-chlorophenyl)-3-oxopropanoate;Ethyl 3-(4-chlorophenyl)-3-oxopropionate;NSC 406743;

Article Data 66

Ethyl (4-chlorobenzoyl)acetate Specification

The 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester, with the CAS registry number 2881-63-2, is also known as Ethyl (4-chlorobenzoyl)acetate. It belongs to the product categories of C10 to C11; Carbonyl Compounds; Esters. This chemical's molecular formula is C11H11ClO3 and molecular weight is 226.66. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 3-(4-chlorophenyl)-3-oxopropanoate.

Physical properties about 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.54; (6)ACD/BCF (pH 7.4): 51.19; (7)ACD/KOC (pH 5.5): 585.01; (8)ACD/KOC (pH 7.4): 581.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 56.84 cm3; (15)Molar Volume: 185.9 cm3; (16)Surface Tension: 41.6 dyne/cm; (17) Density: 1.219 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 55.52 kJ/mol; (20)Boiling Point: 314.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000476 mmHg at 25 °C.

Preparation of 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester: this chemical can be prepared by 1-(4-Chloro-phenyl)-ethanone with Carbonic acid diethyl ester. This reaction needs reagent sodium hydride and solvent diethyl ether at temperature of 35-40 °C. The yield is 82 %.

3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester can be prepared by 1-(4-Chloro-phenyl)-ethanone with Carbonic acid diethyl ester.

Uses of 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester: it is used to produce other chemicals. For example, it can produce 3-(4-Chloro-phenyl)-2H-isoxazol-5-one. The reaction occurs with reagent NH2OH*HCl and ethanol.

3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester can produce 3-(4-Chloro-phenyl)-2H-isoxazol-5-one.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)CC(=O)OCC
(2) InChI: InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
(3) InChIKey: DGCZHKABHPDNCC-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2881-63-2