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| CAS No.: | 589-57-1 |
|---|---|
| Name: | DIETHYL CHLOROPHOSPHITE |
| Article Data: | 72 |
| Molecular Structure: | |
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| Formula: | C4H10ClO2P |
| Molecular Weight: | 156.549 |
| Synonyms: | Ethylphosphorochloridite (6CI,7CI);Chlorodiethoxyphosphine;Diethoxychlorophosphine;Diethyl chlorophosphite;Diethyl chlorophosphonite;Diethyl phosphorochloridite;Ethyl chlorophosphite;Ethyl phosphorochloridite,(EtO)2ClP; |
| EINECS: | 209-652-2 |
| Density: | 1.089 g/mL at 20 °C(lit.) |
| Melting Point: | 25°C |
| Boiling Point: | 154 °C at 760 mmHg |
| Flash Point: | 1.1 °C |
| Solubility: | Soluble in DMSO and chloroform. Reacts with water. |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-14-34-37 |
| Safety: | 16-26-36/37/39-45-7/8 |
| Transport Information: | UN 2924 |
| PSA: | 32.05000 |
| LogP: | 2.52510 |
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Specification
This chemical is called Phosphorochloridous acid, diethyl ester, and it can also be named as Ethyl phosphorochloridite. With the molecular formula of C4H10ClO2P, its molecular weight is 156.55. The CAS registry number of this chemical is 589-57-1.
Other characteristics of the Phosphorochloridous acid, diethyl ester can be summarised as followings: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 448.44; (6)ACD/BCF (pH 7.4): 448.44; (7)ACD/KOC (pH 5.5): 2752.28; (8)ACD/KOC (pH 7.4): 2752.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.05 Å2; (13)Flash Point: 1.1 °C; (14)Enthalpy of Vaporization: 37.47 kJ/mol; (15)Boiling Point: 154 °C at 760 mmHg; (16)Vapour Pressure: 4.17 mmHg at 25°C.
Uses of this chemical: The Phosphorochloridous acid, diethyl ester could react with pentane-2,4-dione, and obtain the phosphorous acid diethyl ester 1-methyl-3-oxo-but-1-enyl ester. This reaction needs the reagent of Et3N, and the solvent of diethyl ether.
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When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep it away from sources of ignition. It reacts violently with water and causes burns. Keep the container tightly closed and dry. It's irritating to respiratory system. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: ClP(OCC)OCC
2.InChI: InChI=1/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
3.InChIKey: TXHWYSOQHNMOOU-UHFFFAOYAG