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| CAS No.: | 1605-53-4 |
|---|---|
| Name: | Diethylphenylphosphine |
| Molecular Structure: | |
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| Formula: | C10H15P |
| Molecular Weight: | 166.203 |
| Synonyms: | Diethylphenylphosphine;NSC 158475;Phenyldiethylphosphine; |
| EINECS: | 216-516-6 |
| Density: | 0.954 g/mL at 25 °C(lit.) |
| Melting Point: | 45 °C |
| Boiling Point: | 233.7 °C at 760 mmHg |
| Flash Point: | 97.5 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Appearance: | irritable\smell \colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 17-26-36 |
| PSA: | 13.59000 |
| LogP: | 2.83360 |
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Specification
This chemical is called Diethylphenylphosphine, and its systematic name is diethyl(phenyl)phosphane. With the molecular formula of C10H15P, its molecular weight is 166.2. The CAS registry number of this chemical is 1605-53-4. Additionally, its product categories are Phosphines (Mitsunobu Reaction); Mitsunobu Reaction; Phosphine Ligands; Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. This chemical is somewhat harmful to water, so do not pour the undiluted chemical to the channels or sewage systems without the government's permission. In addition, this chemical should be sealed in the dry place, away from oxides, acid.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.63; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.63; (4)ACD/BCF (pH 5.5): 339.51; (5)ACD/BCF (pH 7.4): 339.51; (6)ACD/KOC (pH 5.5): 2255.22; (7)ACD/KOC (pH 7.4): 2255.22; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 13.59 Å2; (10)Flash Point: 97.5 °C; (11)Enthalpy of Vaporization: 45.13 kJ/mol; (12)Boiling Point: 233.7 °C at 760 mmHg; (13)Vapour Pressure: 0.0839 mmHg at 25°C.
Production method of this chemical: The Diethylphenylphosphine could be obtained by the reactant of phenylphosphonous acid dichloride with ethylmagnesium bromide. This reaction needs the reagent of diethyl ether.
Uses of this chemical: The Diethylphenylphosphine could react with 1,3-dibromo-propane, and obtain the [3-(diethylphenylphosphonio)propyl]diethylphenylphosphonium dibromide. This reaction needs the solvent of dimethylformamide. The yield is 98%. In addition, this reaction should be taken for 5 hours at the condition of being heated.
![The Diethylphenylphosphine could react with 1,3-dibromo-propane, and obtain the [3-(diethylphenylphosphonio)propyl]diethylphenylphosphonium dibromide.](/UserFilesUpload/Uses of The Diethylphenylphosphine.jpg)
When you are using this chemical, please be cautious about it as the following:This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, this chemical should be kept away from combustible material.
You can still convert the following datas into molecular structure:
1.SMILES: P(c1ccccc1)(CC)CC
2.InChI: InChI=1/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
3.InChIKey: LVTCZSBUROAWTE-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
5.Std. InChIKey: LVTCZSBUROAWTE-UHFFFAOYSA-N