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

Name
4-(4-CHLORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 62088-10-2
Article Data16
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃ClO₃
Boiling Point 320.591 °C at 760 mmHg
Molecular Weight 240.686
Flash Point 125.989 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Chlorophenyl)-3-oxo-butyricacid ethyl ester;Ethyl 4-(4-Chlorophenyl)-3-oxobutanoate;Ethyl 4-(p-chlorophenyl)acetoacetate;
PSA 43.37000
LogP 2.40480

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

The CAS register number of Benzenebutanoic acid,4-chloro-b-oxo-, ethyl ester is 62088-10-2. It also can be called as Ethyl 4-(p-chlorophenyl)acetoacetate and the IUPAC name about this chemical is ethyl 4-(4-chlorophenyl)-3-oxobutanoate. The molecular formula about this chemical is C₁₂H₁₃ClO₃ and the molecular weight is 240.68.

Physical properties about Benzenebutanoic acid,4-chloro-b-oxo-, ethyl ester are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 121; (5)ACD/BCF (pH 7.4): 121; (6)ACD/KOC (pH 5.5): 1081; (7)ACD/KOC (pH 7.4): 1079; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 61.033 cm³; (13)Molar Volume: 200.83 cm³; (14)Polarizability: 24.195x10^-24cm³; (15)Surface Tension: 41.157 dyne/cm; (16)Density: 1.198 g/cm³; (17)Flash Point: 125.989 °C; (18)Enthalpy of Vaporization: 56.228 kJ/mol; (19)Boiling Point: 320.591 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CC(=O)CC(=O)OCC
(2)InChI: InChI=1/C12H13ClO3/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: JOEFETLDNZHBHE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H13ClO3/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: JOEFETLDNZHBHE-UHFFFAOYSA-N

Product Name

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

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

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