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Phosphoric acid,(1Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester (18708-87-7)

Identification
Name:Phosphoric acid,(1Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester
Synonyms:Phosphoricacid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester, (Z)-;Phosphoricacid, 2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl ester, (Z)- (8CI);Z-Chlorfenvinphos;cis-Chlorfenvinphos;b-CVP;b-Chlorfenvinphos;
CAS:18708-87-7
Molecular Formula: C12H14Cl3O4P
Molecular Weight: 359.57
InChI: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
Molecular Structure: (C12H14Cl3O4P) Phosphoricacid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester, (Z)-;Phosphoricacid, 2-chloro-...
Properties
Flash Point: 298.9°C
Boiling Point: 396.5°Cat760mmHg
Density:1.373g/cm3
Solubility:Miscible with most common organic solvents, e.g. acetone, ethanol, kerosene, xylene, propylene glycol, dichloromethane, hexane.
In water, 124 mg/l at 20 deg C [Bowman BT, Sans WW; J Environ Sci Health B18: 221-7 (1983)] PubMed Abstract
Specification:

The CAS register number of cis-Chlorfenvinphos is 18708-87-7. It also can be called as 2,4-Dichloro-1-[(Z)-2-chloro-1-diethoxyphosphoryloxy-ethenyl]benzene and the IUPAC name about this chemical is [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate.

Physical properties about cis-Chlorfenvinphos are: (1)ACD/LogP: 4.51; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 54.57Å2; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 81.43 cm3; (7)Molar Volume: 261.8 cm3; (8)Polarizability: 32.28x10-24cm3; (9)Surface Tension: 43.2 dyne/cm; (10)Enthalpy of Vaporization: 62.15 kJ/mol; (11)Boiling Point: 396.5 °C at 760 mmHg; (12)Vapour Pressure: 3.9E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=[C@H]Cl
(2)InChI: InChI=1/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
(3)InChIKey: FSAVDKDHPDSCTO-WQLSENKSBC
(4)Std. InChI: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
(5)Std. InChIKey: FSAVDKDHPDSCTO-WQLSENKSSA-N

Flash Point: 298.9°C
Color: Colorless liquid
Yellowish liquid
Amber-colored liquid
Safety Data
 

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