Basic information
- Name:
Phosphine, trioctyl-
- Superlist Name:
- Trioctylphosphine
- CAS No.:
4731-53-7
- Molecular Structure:
- Formula:
- C24H51P
- Molecular Weight:
- 370.64
- Synonyms:
- NSC 102529;Tri-n-octylphosphine;
- EINECS:
- 225-234-2
- Boiling Point:
- 445 °C at 760 mmHg
- Flash Point:
- 236 °C
- Hazard Symbols:
C, 
Xi- Risk Codes:
- 34-36/37/38
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 1760 8/PG 2
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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