Phosphoric acid,2-chloro-1-(2,5-dichlorophenyl)ethenyl diethyl ester (2701-86-2)

The Diethyl 1-(2,5-dichlorophenyl)-2-chlorovinyl phosphate, with the cas registry number 2701-86-2, has the systematic name and IUPAC name of (Z)-2-chloro-1-(2,5-dichlorophenyl)ethenyl diethyl phosphate. The molecular formula of the chemical is C₁₂H₁₄Cl₃O₄P.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.51; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1572.69; (6)ACD/BCF (pH 7.4): 1572.69; (7)ACD/KOC (pH 5.5): 6757.02; (8)ACD/KOC (pH 7.4): 6757.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 81.43 cm³; (15)Molar Volume: 261.8 cm³; (16)Polarizability: 32.28×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 297.5 °C; (20)Enthalpy of Vaporization: 62.03 kJ/mol; (21)Boiling Point: 395.4 °C at 760 mmHg; (22)Vapour Pressure: 4.21E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(Cl)cc1C(OP(=O)(OCC)OCC)=[C@H]Cl
(2)InChI: InChI=1/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
(3)InChIKey: SRZOWOUWGAIUTI-WQLSENKSBB

The toxicity data is as follows: