Phosphonic acid,P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester (1660-95-3)

The Tetraisopropyl methylenediphosphonate is an organic compound with the formula C₁₃H₃₀O₆P₂. The IUPAC name of this chemical is 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane. With the CAS registry number 1660-95-3, it is also named as Methylenediphosphonic acid tetraisopropyl ester. The product's categories are Organic Building Blocks; Phosphonates/Phosphinates; Phosphorus Compounds. Besides, it is a clear colorless to slightly yellow liquid, which should be stored in a cool, dry place.

Physical properties about Tetraisopropyl methylenediphosphonate are: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 1.88; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 15.92; (5)ACD/BCF (pH 7.4): 15.92; (6)ACD/KOC (pH 5.5): 252.32; (7)ACD/KOC (pH 7.4): 252.32; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 90.68 Å²; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 82.83 cm³; (13)Molar Volume: 318.3 cm³; (14)Polarizability: 32.84×10^-24cm³; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 209.2 °C; (18)Enthalpy of Vaporization: 62.54 kJ/mol; (19)Boiling Point: 400 °C at 760 mmHg; (20)Vapour Pressure: 3.04E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by Phosphorous acid triisopropyl ester and Dibromomethane . The reaction time is 17 hours. The yield is about 80%.

Uses of Tetraisopropyl methylenediphosphonate: it can be used to produce P,P'-methanediyl-bis-phosphonic acid tetrachloride at temperature of 80 °C. It will need reagent PCl₅ with reaction time of 3 hours. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
It has risk of serious damage to eyes . When you are using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC(C)C)(OC(C)C)CP(=O)(OC(C)C)OC(C)C
(2)InChI: InChI=1/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
(3)InChIKey: ODTQUKVFOLFLIQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
(5)Std. InChIKey: ODTQUKVFOLFLIQ-UHFFFAOYSA-N