Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2-Bis(chloromethyl)-1,3-propanediol bis[bis(2-chloroethyl)phosphate] |
EINECS | 253-760-2 |
CAS No. | 38051-10-4 | Density | 1.464 g/cm3 |
PSA | 109.14000 | LogP | 5.72140 |
Solubility | 2.1 mg l-1 (e) | Melting Point |
275℃ |
Formula | C13H24Cl6O8P2 | Boiling Point | 620.3 °C at 760 mmHg |
Molecular Weight | 582.994 | Flash Point | 588.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Amgard V 6;Antiblaze 100;Phosphoric acid,esters,2,2-bis(chloromethyl)-1,- 3-propanediyl tetrakis(2-chloroethyl) ester; |
Article Data | 2 |
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