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| CAS No.: | 33142-21-1 |
|---|---|
| Name: | Ethyl (chloroformyl)acetate |
| Article Data: | 49 |
| Molecular Structure: | |
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| Formula: | C5H7ClO3 |
| Molecular Weight: | 150.562 |
| Synonyms: | ethyl 2-chloro-3-oxo-propanoate; |
| EINECS: | 251-390-6 |
| Density: | 1.217 g/cm3 |
| Melting Point: | 88-90 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 172.5°Cat760mmHg |
| Flash Point: | 68.2°C |
| PSA: | 43.37000 |
| LogP: | 0.70500 |
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Specification
This chemical is called Ethyl (chloroformyl)acetate, and its CAS registry number is 33142-21-1. With the molecular formula of C5H7ClO3, its molecular weight is 150.56.
Other characteristics of the Ethyl (chloroformyl)acetate can be summarised as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.44; (8)ACD/KOC (pH 7.4): 1; (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: 1.43; (14)Molar Refractivity: 31.98 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 12.67×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 68.2 °C; (20)Enthalpy of Vaporization: 40.89 kJ/mol; (21)Boiling Point: 172.5 °C at 760 mmHg; (22)Vapour Pressure: 1.32 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=CC(Cl)C(=O)OCC
2.InChI: InChI=1/C5H7ClO3/c1-2-9-5(8)4(6)3-7/h3-4H,2H2,1H3
3.InChIKey: DWXKSCKBUSAOKS-UHFFFAOYAY