DIETHYL ALLYLPHOSPHONATE

The Phosphonic acid,P-2-propen-1-yl-, diethyl ester, with the CAS registry number 1067-87-4, is also known as Diethylallylphosphonate. It belongs to the product categories of C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination. This chemical's molecular formula is C₇H₁₅O₃P and molecular weight is 178.17. What's more, its IUPAC name is 3-Diethoxyphosphorylprop-1-ene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, dark and dry place. What's more, it should be protected from oxides and acids.

Physical properties of Phosphonic acid,P-2-propen-1-yl-, diethyl ester are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.13; (6)ACD/BCF (pH 7.4): 4.13; (7)ACD/KOC (pH 5.5): 96.09; (8)ACD/KOC (pH 7.4): 96.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 45.34 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 44.56 cm³; (15)Molar Volume: 176 cm³; (16)Polarizability: 17.66×10^-24 cm³; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 102.8 °C; (20)Enthalpy of Vaporization: 44.06 kJ/mol; (21)Boiling Point: 222.9 °C at 760 mmHg; (22)Vapour Pressure: 0.148 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-bromo-propene and phosphorous acid triethyl ester with irradiation for 5 minmutes. The yield is about 89%.

Uses of Phosphonic acid,P-2-propen-1-yl-, diethyl ester: it can be used to produce (2,3-dibromo-propyl)-phosphonic acid diethyl ester at the ambient temperature. It will need solvent CCl₄ and bromine.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOP(=O)(CC=C)OCC
(2)InChI: InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
(3)InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N