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Phosphonic acid,P-1-propen-1-yl-, diethyl ester

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Name

Phosphonic acid,P-1-propen-1-yl-, diethyl ester

EINECS N/A
CAS No. 5954-65-4 Density 1.02 g/cm3
PSA 45.34000 LogP 2.78610
Solubility N/A Melting Point N/A
Formula C7H15O3P Boiling Point 223.4 °C at 760 mmHg
Molecular Weight 178.168 Flash Point 103.1 °C
Transport Information N/A Appearance clear colorless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5954-65-4 (DIETHYL ALLYLPHOSPHONATE) Hazard Symbols IrritantXi
Synonyms

Phosphonicacid, 1-propenyl-, diethyl ester (9CI);Phosphonic acid, propenyl-, diethylester (7CI,8CI);Diethyl (1-propenyl)phosphonate;Diethylpropylidenephosphonate;

Article Data 1

Phosphonic acid,P-1-propen-1-yl-, diethyl ester Specification

The Phosphonic acid, P-1-propen-1-yl-, diethyl ester, with the CAS registry number of 5954-65-4, is also known as Diethyl (1E)-prop-1-en-1-ylphosphonate. This chemical's molecular formula is C7H15O3P and molecular weight is 178.17. What's more, its IUPAC name is (E)-1-Diethoxyphosphorylprop-1-ene. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about Phosphonic acid, P-1-propen-1-yl-, diethyl ester are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.67; (6)ACD/BCF (pH 7.4): 49.67; (7)ACD/KOC (pH 5.5): 569.78; (8)ACD/KOC (pH 7.4): 569.78; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 44.9 cm3; (15)Molar Volume: 174.5 cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 103.1 °C; (19)Enthalpy of Vaporization: 44.12 kJ/mol; (20)Boiling Point: 223.4 °C at 760 mmHg; (21)Vapour Pressure: 0.143 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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(OCC)(OCC)/C=C/C
(2) InChI: InChI=1/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4,7H,5-6H2,1-3H3/b7-4+
(3) InChIKey: VBHYLCOEVPIQKH-QPJJXVBHBA

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