Methyl 3-(2-chlorophenyl)-3-oxo-propanoate supplier

Name
METHYL 2-CHLOROBENZOYLACETATE, 97
EINECS
CAS No. 205985-98-4
Article Data13
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point 25°C
Formula C₁₀H₉ClO₃
Boiling Point 262.6 °C at 760 mmHg
Molecular Weight 212.633
Flash Point 104.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-(2-chlorophenyl)-3-oxopropanoate;
PSA 43.37000
LogP 2.08580

Methyl 3-(2-chlorophenyl)-3-oxo-propanoate Specification

The Methyl 3-(2-chlorophenyl)-3-oxo-propanoate, with the CAS registry number 205985-98-4, is also known as Methyl 2-chlorobenzoylacetate. This chemical's molecular formula is C₁₀H₉ClO₃ and molecular weight is 212.631. What's more, both its IUPAC name and systematic name are the same which is called Methyl 3-(2-chlorophenyl)-3-oxopropanoate. It is clear colorless to light yellow liquid and it should be kept in a cold and dry place.

Physical properties about Methyl 3-(2-chlorophenyl)-3-oxo-propanoate are: (1) ACD/LogP: 1.76; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 43.37 Å²; (7) Index of Refraction: 1.528; (8) Molar Refractivity: 52.21 cm³; (9)Molar Volume: 169.4 cm³; (10) Surface Tension: 42.5 dyne/cm; (11) Density: 1.255 g/cm³; (12) Flash Point: 104.4 °C; (13) Enthalpy of Vaporization: 50.04 kJ/mol; (14) Boiling Point: 262.6 °C at 760 mmHg; (15) Vapour Pressure: 0.0108 mmHg at 25 °C; (16) Melting Point: 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1Cl)CC(=O)OC
(2) InChI: InChI=1/C10H9ClO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
(3) InChIKey: DMVAIJCMWPNOKV-UHFFFAOYAR

Product Name

METHYL 2-CHLOROBENZOYLACETATE, 97

Methyl 3-(2-chlorophenyl)-3-oxo-propanoate Specification

Related Products

Hot Products