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CAS No.: | 205985-98-4 |
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Name: | METHYL 2-CHLOROBENZOYLACETATE, 97 |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H9ClO3 |
Molecular Weight: | 212.633 |
Synonyms: | Methyl 3-(2-chlorophenyl)-3-oxopropanoate; |
Density: | 1.255 g/cm3 |
Melting Point: | 25°C |
Boiling Point: | 262.6 °C at 760 mmHg |
Flash Point: | 104.4 °C |
PSA: | 43.37000 |
LogP: | 2.08580 |
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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