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| CAS No.: | 995-32-4 |
|---|---|
| Name: | TETRAETHYL ETHYLENEDIPHOSPHONATE |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C10H24O6P2 |
| Molecular Weight: | 302.244 |
| Synonyms: | Phosphonic acid,1,2-ethanediylbis-, tetraethyl ester (9CI);1,2-Bis(diethylphosphonyl)ethane;Phosphonic acid, ethylenedi-,tetraethyl ester (6CI,7CI,8CI);1,2-Bis(diethoxyphosphinyl)ethane;1,2-Ethylenediphosphonic acid tetraethylester;Ethane-1,2-diphosphonic acid tetraethyl ester;Tetraethylethylenebis(phosphonate);Tetraethyl ethylenediphosphonate; |
| EINECS: | 213-625-0 |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 382.8 °C at 760 mmHg |
| Flash Point: | 198.9 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 90.68000 |
| LogP: | 3.51860 |
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Specification
The Phosphonic acid,P,P'-1,2-ethanediylbis-, P,P,P',P'-tetraethyl ester, with the CAS registry number 995-32-4, is also known as Tetraethyl ethylenediphosphonate. It belongs to the product categories of C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination. Its EINECS registry number is 213-625-0. This chemical's molecular formula is C10H24O6P2 and molecular weight is 302.24. Its IUPAC name is called 1,2-bis(diethoxyphosphoryl)ethane. What's more, the product should be sealed and stored in cool and dry place.
Physical properties of Phosphonic acid,P,P'-1,2-ethanediylbis-, P,P,P',P'-tetraethyl ester: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.88; (5)ACD/BCF (pH 7.4): 1.88; (6)ACD/KOC (pH 5.5): 54.65; (7)ACD/KOC (pH 7.4): 54.65; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 11; (10)Index of Refraction: 1.43; (11)Molar Refractivity: 69.1 cm3; (12)Molar Volume: 267.3 cm3; (13)Surface Tension: 35.5 dyne/cm; (14)Density: 1.13 g/cm3; (15)Flash Point: 198.9 °C; (16)Enthalpy of Vaporization: 60.65 kJ/mol; (17)Boiling Point: 382.8 °C at 760 mmHg; (18)Vapour Pressure: 1.02E-05 mmHg at 25°C.
Preparation of Phosphonic acid,P,P'-1,2-ethanediylbis-, P,P,P',P'-tetraethyl ester: this chemical can be prepared by phosphorous acid triethyl ester and 1,2-dibromo-ethane. The reaction temperature is 160 °C.
Uses of Phosphonic acid,P,P'-1,2-ethanediylbis-, P,P,P',P'-tetraethyl ester: it can be used to produce 3,4-bis-(diethoxy-phosphoryl)-2-oxo-butyric acid isopropyl ester with oxalic acid diisopropyl ester. This reaction will need reagent BuLi and solvent tetrahydrofuran. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC
(2)InChI: InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3
(3)InChIKey: RSQYXXACEZCDFS-UHFFFAOYSA-N