-
Name
DIETHYL VINYLPHOSPHONATE
- EINECS 211-663-2
- CAS No. 682-30-4
- Article Data43
- CAS DataBase
- Density 1.028 g/cm3
- Solubility
- Melting Point
- Formula C6H13O3P
- Boiling Point 199.8 °C at 760 mmHg
- Molecular Weight 164.141
- Flash Point 88.9 °C
- Transport Information UN 3278
- Appearance clear colorless to light yellow liquid
- Safety 23-24/25
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
T
- Synonyms Phosphonicacid, ethenyl-, diethyl ester (9CI);Phosphonic acid, vinyl-, diethyl ester(6CI,7CI,8CI);Diethoxyphosphinylethene;Diethyl ethenylphosphonate;Diethylvinylphosphonate;O,O-Diethyl vinylphosphonate;Vinylphosphonic acid diethylester;
- PSA 45.34000
- LogP 2.39600
Phosphonic acid,P-ethenyl-, diethyl ester Specification
The Phosphonic acid,P-ethenyl-, diethyl ester, with the CAS registry number 682-30-4, is also known as Diethoxyphosphinylethene. It belongs to the product categories of Organic Building Blocks; Phosphonates/Phosphinates; Phosphorus Compounds. Its EINECS number is 211-663-2. This chemical's molecular formula is C6H13O3P and formula weight is 164.14. What's more, its systematic name is diethyl ethenylphosphonate.
Physical properties of Phosphonic acid,P-ethenyl-, diethyl ester are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)#H bond acceptors: 3; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 45.34 Å2; (8)Index of Refraction: 1.414; (9)Molar Refractivity: 39.93 cm3; (10)Molar Volume: 159.5 cm3; (11)Surface Tension: 29.3 dyne/cm; (12)Density: 1.028 g/cm3; (13)Flash Point: 88.9 °C; (14)Enthalpy of Vaporization: 41.82 kJ/mol; (15)Boiling Point: 199.8 °C at 760 mmHg; (16)Vapour Pressure: 0.474 mmHg at 25°C.
Preparation: this chemical can be prepared by vinylphosphonic acid diethyl ester by heating. This reaction will need reagent triethyl orthoformate with the reaction time of 2 hours. It's a reaction of dehydrobromination. The yield is about 86%.
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Uses of Phosphonic acid,P-ethenyl-, diethyl ester: it can be used to produce (2-oxo-ethyl)-phosphonic acid diethyl ester at the temperature of 85°C. It will need reagent CuCl2·2H2O, HCl, H2O, O2 and catalyst PdCl2 with the reaction time of 5 hours. It's a reaction of dehydrobromination. The yield is about 85%.
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You can still convert the following datas into molecular structure:
(1)SMILES: CCOP(=O)(C=C)OCC
(2)InChI: InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
(3)InChIKey: DREPONDJUKIQLX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 550mg/kg (550mg/kg) | Farmakologiya i Toksikologiya Vol. 28, Pg. 70, 1965. |
Related Products
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- Phosphonic acid, ethenyl-, bis(2-((buto-xymethylphosphinyl)oxy)ethyl) ester
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