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Name |
Phosphonic acid,P-ethenyl-, diethyl ester |
EINECS | 211-663-2 |
CAS No. | 682-30-4 | Density | 1.028 g/cm3 |
PSA | 45.34000 | LogP | 2.39600 |
Solubility | N/A | Melting Point |
N/A |
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 | N/A |
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; |
Article Data | 43 |
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%.
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%.
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. |