-
Name
ETHYL 3,4-DICHLOROBENZOYLFORMATE
- EINECS
- CAS No. 34966-52-4
- Density 1.362 g/cm3
- Solubility
- Melting Point
- Formula C10H8Cl2O3
- Boiling Point 350.4 °C at 760 mmHg
- Molecular Weight 247.078
- Flash Point 149.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms (3,4-DICHLOROPHENYL)GLYOXYLIC ACID ETHYL ESTER;ETHYL 2-(3,4-DICHLOROPHENYL)-2-OXOACETATE;ETHYL 3,4-DICHLOROPHENYLGLYOXYLATE;ETHYL 3,4-DICHLOROBENZOYLFORMATE;Ethyl 3,4-dichlorophenylglyoxylate, Ethyl 3,4-dichlorobenzoylformate;Ethyl (3,4-dichlorophenyl)(oxo)acetate, tech;Ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate , Tech.;3,4-Dichloro benzoyl ethyl
- PSA 43.37000
- LogP 2.73920
Benzeneacetic acid,3,4-dichloro-a-oxo-,ethyl ester Specification
This chemical is called Benzeneacetic acid,3,4-dichloro-a-oxo-,ethyl ester, and its CAS registry number is 34966-52-4. With the molecular formula of C10H8Cl2O3, its molecular weight is 247.07.
Other characteristics of the Benzeneacetic acid,3,4-dichloro-a-oxo-,ethyl ester can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.42; (6)ACD/BCF (pH 7.4): 169.42; (7)ACD/KOC (pH 5.5): 1371.2; (8)ACD/KOC (pH 7.4): 1371.2; (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: 1.542; (14)Molar Refractivity: 57.11 cm3; (15)Molar Volume: 181.3 cm3; (16)Polarizability: 22.64×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 149.2 °C; (20)Enthalpy of Vaporization: 59.5 kJ/mol; (21)Boiling Point: 350.4 °C at 760 mmHg; (22)Vapour Pressure: 4.4E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(C(=O)C(=O)OCC)cc1Cl
2.InChI: InChI=1/C10H8Cl2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
3.InChIKey: NWUGRKGSCYOUFF-UHFFFAOYAR
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