diisopropyl hydrogen phosphate

The Phosphoric acid,bis(1-methylethyl) ester, with the CAS registry number 1611-31-0, is also known as Diisopropyl hydrogen phosphate. Its EINECS number is 216-552-2. This chemical's molecular formula is C₆H₁₅O₄P and molecular weight is 182.15. What's more, its IUPAC name is dipropan-2-yl hydrogen phosphate.

Physical properties of Phosphoric acid,bis(1-methylethyl) ester are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -2.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 41.66 cm³; (15)Molar Volume: 162.7 cm³; (16)Polarizability: 16.51×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 90.4 °C; (20)Enthalpy of Vaporization: 50.93 kJ/mol; (21)Boiling Point: 225.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0309 mmHg at 25°C.

Preparation: this chemical can be prepared by propan-2-ol at the temperature of 50°C. This reaction will need reagents oxygen, Zn₃P₂, H₂O. This reaction will also need catalyst CuCl₂. The yield is about 64.6%.

Uses of Phosphoric acid,bis(1-methylethyl) ester: it can be used to produce N-(diisopropoxyphosphinyl)benzamilide. It will need reagent Et₃N and solvent acetone. The yield is about 53%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC(C)C)(OC(C)C)O
(2)Std. InChI: InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)
(3)Std. InChIKey: WZPMZMCZAGFKOC-UHFFFAOYSA-N