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| CAS No.: | 4731-53-7 |
|---|---|
| Name: | TRI-N-OCTYLPHOSPHINE |
| Molecular Structure: | |
|
|
|
| Formula: | C24H51P |
| Molecular Weight: | 370.643 |
| Synonyms: | NSC 102529;Tri-n-octylphosphine; |
| EINECS: | 225-234-2 |
| Density: | 0.831g/mLat 25°C(lit.) |
| Melting Point: | -60oC |
| Boiling Point: | 445 °C at 760 mmHg |
| Flash Point: | 236 °C |
| Solubility: | Immiscible with water. |
| Appearance: | clear liquid |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1760 8/PG 2 |
| PSA: | 13.59000 |
| LogP: | 9.54980 |
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- 24219-37-2
di-n-octylmagnesium
- 4731-53-7
TOP
| Conditions | Yield |
|---|---|
| With phosphorus trichloride; iron(III)-acetylacetonate In tetrahydrofuran; n-heptane for 0.5h; Heating; | 85% |
| With phosphorus trichloride | 84% |
| Conditions | Yield |
|---|---|
| With pinacolboronic acid In acetonitrile at 100℃; for 120h; Inert atmosphere; Glovebox; Sealed tube; Schlenk technique; | 57% |
| With 1,1,3,3-Tetramethyldisiloxane; titanium(IV) isopropylate In various solvent(s) at 100℃; for 10h; | |
| With indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane In toluene at 100℃; for 18h; Inert atmosphere; Sealed tube; |
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); phosphan at 80 - 100℃; for 6h; |
- 62779-16-2
(Methoxycarbonylamino-methyl)-trioctyl-phosphonium; chloride
- 4731-53-7
TOP
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; diethyl ether |
| Conditions | Yield |
|---|---|
| With iodine; magnesium; phosphorus trichloride 1.) ether, reflux, 15 min.; 2.) reflux, 96 h.; Yield given. Multistep reaction; |
- 4731-53-7
TOP
| Conditions | Yield |
|---|---|
| With sodium |
| Conditions | Yield |
|---|---|
| In further solvent(s) byproducts: tri-n-octylphosphine oxide, oleate anhydride; (C8H17)3PSe injected into soln. of Pb compd. in 1-octadecene; nanocrystals grown at 170°C over 40 min; monitored by (31)P NMR spectra; | A n/a B 0% |
- 4731-53-7
TOP
- 616-38-6
carbonic acid dimethyl ester
- 1204316-79-9
1,1,1-trioctyl-1-methylphosphonium methylcarbonate
| Conditions | Yield |
|---|---|
| In methanol at 140℃; for 20h; Inert atmosphere; Autoclave; | 100% |
| In methanol at 140℃; for 24h; Inert atmosphere; Autoclave; | 100% |
| In methanol at 150℃; | 100% |
| Conditions | Yield |
|---|---|
| In toluene Ni complex reacted with 2 equiv. of tri-n-octylphosphine in toluene; | 99% |
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Specification
The Phosphine, trioctyl-, with its CAS registry number 4731-53-7, has the IUPAC name of trioctylphosphane. For being sensitive to air, it has the product categories which are including Tertiary Phosphines; Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds.
The characteristics of this chemical are as below: (1)ACD/LogP: 11.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.98; (4)ACD/LogD (pH 7.4): 11.98; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 21; (8)Polar Surface Area: 13.59; (9)Flash Point: 236 °C; (10)Enthalpy of Vaporization: 67.59 kJ/mol; (11)Boiling Point: 445 °C at 760 mmHg; (12)Vapour Pressure: 1.07E-07 mmHg at 25°C; (13)Exact Mass: 370.372838; (14)MonoIsotopic Mass: 370.372838; (15)Heavy Atom Count: 25; (16)Complexity: 188; (17)Covalently-Bonded Unit Count: 1.
Production method of this chemical: Dioctylmagnesium could react to produce Phosphine, trioctyl-. This reaction happens in the presence of the reagent of PCl3.
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Use of this chemical: Phosphine, trioctyl- could react to produce dichloro-octyl-phosphine. This reaction could happen in the presence of the reagent of PCl3. And it needs the reaction time of 1 hour and the reaction temperature of 275 ℃.
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When you are dealing with this chemical, you should be more cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes, and it is irritating to eyes, respiratory system and skin. For another thing, it is corrosive which may destroy living tissue on contact, and it may causes burns.
Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCP(CCCCCCCC)CCCCCCCC
(2)InChI: InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-
15-12-9-6-3/h4-24H2,1-3H3
(3)InChIKey: RMZAYIKUYWXQPB-UHFFFAOYSA-N