2,2-bis(chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate)

The 2,2-Bis(Chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate) is an organic compound with the formula C₁₃H₂₄Cl₆O₈P₂. The IUPAC name of this chemical is [2-[Bis(2-chloroethoxy)phosphoryloxymethyl]-3-chloro-2-(chloromethyl)propyl] bis(2-chloroethyl) phosphate. With the CAS registry number 38051-10-4, it is also named as 2,2-Bis(chloromethyl)-1,3-propanediyl tetrakis(2-chloroethyl) bis(phosphate). The product's category is Organics. Besides, its molecular weight is 582.990382.

Physical properties about 2,2-Bis(Chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate) are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.07; (6)ACD/BCF (pH 7.4): 17.07; (7)ACD/KOC (pH 5.5): 265.25; (8)ACD/KOC (pH 7.4): 265.25; (9)#H bond acceptors: 8 ; (10)#Freely Rotating Bonds: 20; (11)Polar Surface Area: 109.14 Å²; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 115.55 cm³; (14)Molar Volume: 397.9 cm³; (15)Polarizability: 45.8×10^-24 cm³; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.464 g/cm³; (18)Flash Point: 588.4 °C; (19)Enthalpy of Vaporization: 88.57 kJ/mol; (20)Boiling Point: 620.3 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CCl
(2)InChI: InChI=1/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2
(3)InChIKey: ZGHUDSLVQAGWEY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2
(5)Std. InChIKey: ZGHUDSLVQAGWEY-UHFFFAOYSA-N