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| CAS No.: | 683-08-9 |
|---|---|
| Name: | Diethyl methylphosphonate |
| Molecular Structure: | |
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| Formula: | C5H13O3P |
| Molecular Weight: | 152.13 |
| Synonyms: | Phosphonicacid, methyl-, diethyl ester (6CI,8CI,9CI);Bis(diethoxyphosphinyl)methane;DEMP;Diethoxymethylphosphine oxide;Diethyl methanephosphonate;Diethylmethylphosphonate;O,O-Diethyl methylphosphonate; |
| EINECS: | 211-667-4 |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 194 °C at 760 mmHg |
| Flash Point: | 75.6 °C |
| Solubility: | Miscible with water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 45.34000 |
| LogP: | 1.88230 |
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Specification
The Diethyl methylphosphonate with its cas register number is 683-08-9. It also can be called as Phosphonic acid, methyl-, diethyl ester and the IUPAC Name about this chemical is 1-[ethoxy(methyl)phosphoryl]oxyethane. It belongs to the following product categories, such as C-C Bond Formation, Horner-Wadsworth-Emmons Reagents, Olefination and so on.
Physical properties about Diethyl methylphosphonate are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.07; (7)ACD/KOC (pH 7.4): 34.07; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 45.34Å2; (11)Index of Refraction: 1.396; (12)Molar Refractivity: 35.57 cm3; (13)Molar Volume: 147.9 cm3; (14)Polarizability: 14.1x10-24cm3; (15)Surface Tension: 28.7 dyne/cm; (16)Enthalpy of Vaporization: 41.26 kJ/mol; (17)Vapour Pressure: 0.631 mmHg at 25°C.
Uses of Diethyl methylphosphonate: it can be used to produce (2-oxo-2-thiophen-2-yl-ethyl)-phosphonic acid diethyl ester with thiophene-2-carboxylic acid ethyl ester at temperature of -60 ℃. It will need reagent 1.5M nBuLi, (i-C3H7)2NLi and solvent hexane, tetrahydrofuran. The yield is about 85%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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)Canonical SMILES: CCOP(=O)(C)OCC
(2)InChI: InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
(3)InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2240mg/kg (2240mg/kg) | Farmakologiya i Toksikologiya Vol. 10, Pg. 121, 1975. |