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| CAS No.: | 5954-65-4 |
|---|---|
| Name: | DIETHYL ALLYLPHOSPHONATE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H15O3P |
| Molecular Weight: | 178.168 |
| Synonyms: | Phosphonicacid, 1-propenyl-, diethyl ester (9CI);Phosphonic acid, propenyl-, diethylester (7CI,8CI);Diethyl (1-propenyl)phosphonate;Diethylpropylidenephosphonate; |
| Density: | 1.02 g/cm3 |
| Boiling Point: | 223.4 °C at 760 mmHg |
| Flash Point: | 103.1 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.34000 |
| LogP: | 2.78610 |
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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