Basic information
- Name:
Butanoic acid,2-[(2-chlorophenyl)methylene]-3-oxo-, methyl ester
- Superlist Name:
- 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester
- CAS No.:
67593-46-8
- Molecular Structure:
![Molecular Structure of 67593-46-8 (Butanoic acid,2-[(2-chlorophenyl)methylene]-3-oxo-, methyl ester)](http://www.lookchem.com/300w/2010/0623/67593-46-8.jpg)
- Formula:
- C12H11ClO3
- Molecular Weight:
- 238.6669
- Synonyms:
- Methyl2-(2-chlorobenzylidene)acetoacetate;NSC 172863;2-(2-Chloro-benzylidene)-3-oxo-butyric acid methyl ester;
- Density:
- 1.241 g/cm3
- Boiling Point:
- 347.2 °C at 760 mmHg
- Flash Point:
- 142.6 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester with the cas number 67593-46-8 is also called 2-(2-Chloro-benzylidene)-3-oxo-butyric acid methyl ester. The systematic name is methyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate. Its molecular formula is C12H11ClO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.55; (6)ACD/BCF (pH 7.4): 21.55; (7)ACD/KOC (pH 5.5): 313.43; (8)ACD/KOC (pH 7.4): 313.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 62.58 cm3; (15)Molar Volume: 192.2 cm3; (16)Polarizability: 24.8×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Enthalpy of Vaporization: 59.15 kJ/mol; (19)Vapour Pressure: 5.46×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1/C=C(/C(=O)C)C(=O)OC
(2)InChI: InChI=1/C12H11ClO3/c1-8(14)10(12(15)16-2)7-9-5-3-4-6-11(9)13/h3-7H,1-2H3/b10-7-
(3)InChIKey: MNMKWCPLHQYQLU-YFHOEESVBK
