Phosphorochloridicacid, dipropyl ester (2510-89-6)

The Dipropyl chlorophosphate is an organic compound with the formula C₆H₁₄ClO₃P. The IUPAC name of this chemical is 1-[chloro(propoxy)phosphoryl]oxypropane. With the CAS registry number 2510-89-6, it is also named as Phosphorochloridic acid, dipropyl ester.

Physical properties about Dipropyl chlorophosphate are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 31.61; (5)ACD/BCF (pH 7.4): 31.61; (6)ACD/KOC (pH 5.5): 412.29; (7)ACD/KOC (pH 7.4): 412.29; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 45.34 Å²; (11)Index of Refraction: 1.426; (12)Molar Refractivity: 45.05 cm³; (13)Molar Volume: 175.8 cm³; (14)Polarizability: 17.86×10^-24cm³; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.14 g/cm³; (17)Flash Point: 100.1 °C; (18)Enthalpy of Vaporization: 44.93 kJ/mol; (19)Boiling Point: 231.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0935 mmHg at 25°C.

Preparation: this chemical can be prepared by phosphorous acid tripropyl ester. This reaction will need reagent PCl₅ and solvent benzene. The yield is about 96.5%.

Uses of Dipropyl chlorophosphate: it can be used to produce Aziridin-1-yl-phosphonic acid dipropyl ester. It will need reagent triethylamine and benzene.

You can still convert the following datas into molecular structure:
(1)SMILES: ClP(=O)(OCCC)OCCC
(2)InChI: InChI=1/C6H14ClO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
(3)InChIKey: MGWMBNBSQQGLAW-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H14ClO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
(5)Std. InChIKey: MGWMBNBSQQGLAW-UHFFFAOYSA-N