CAS No.757-54-0,DIMETHYL ALLYLPHOSPHONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	757-54-0
Name:	DIMETHYL ALLYLPHOSPHONATE
Article Data:	2

Formula:	C₅H₁₁O₃P
Molecular Weight:	150.114
Synonyms:	Phosphonicacid, 2-propenyl-, dimethyl ester (9CI);Phosphonic acid, allyl-, dimethylester (7CI,8CI);Dimethyl 2-propenylphosphonate;Dimethyl allylphosphonate;O,O-Dimethyl allylphosphonate;dimethyl prop-2-en-1-ylphosphonate;Dimethyl allylphosphonate;Phosphonic acid, P-2-propen-1-yl-, dimethyl ester;Allylphosphonic acid dimethyl ester;Dimethyl(allyl)phosphonate;3-dimethoxyphosphorylprop-1-ene;
Density:	1.049 g/cm³
Melting Point:	41-42 °C (0.5 mmHg)
Boiling Point:	181.3 °C at 760 mmHg
Flash Point:	77.8 °C
Appearance:	clear colorless liquid
Safety:	24/25

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Specification

The Phosphonic acid,P-2-propen-1-yl-, dimethyl ester, with the CAS registry number 757-54-0, has the systematic name of dimethyl prop-2-en-1-ylphosphonate. It is a kind of clear colorless liquid. And while dealing with it, you should avoid contacting with skin and eyes. The molecular formula of the chemical is C₅H₁₁O₃P.

The characteristics of Phosphonic acid,P-2-propen-1-yl-, dimethyl ester are as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.38; (8)ACD/KOC (pH 7.4): 25.38; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 45.34 Å²; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 35.3 cm³; (15)Molar Volume: 143 cm³; (16)Polarizability: 13.99×10^-24cm³; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 77.8 °C; (20)Enthalpy of Vaporization: 40.04 kJ/mol; (21)Boiling Point: 181.3 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.

Preparation of Phosphonic acid,P-2-propen-1-yl-, dimethyl ester: This chemical can be prepared by 3-bromo-propene and phosphorous acid trimethyl ester. The reaction will need reagent Br₂. The reaction time is 5 hours with temperature of 90°C, and the yield is about 92%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(OC)(OC)C\C=C
(2)InChI: InChI=1/C5H11O3P/c1-4-5-9(6,7-2)8-3/h4H,1,5H2,2-3H3
(3)InChIKey: ZOSQAGGCVFVCNO-UHFFFAOYAG