| Identification | |
| Name: | Butanoic acid,2-[(2-chlorophenyl)methylene]-3-oxo-, methyl ester |
| Synonyms: | Methyl2-(2-chlorobenzylidene)acetoacetate;NSC 172863;2-(2-Chloro-benzylidene)-3-oxo-butyric acid methyl ester; |
| CAS: | 67593-46-8 |
| Molecular Formula: | C12H11ClO3 |
| Molecular Weight: | 238.67 |
| 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+ |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.241 g/cm3 |
| Refractive index: | 1.564 |
| 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: |
| Safety Data | |
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