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Name |
Trioctylphosphine oxide |
EINECS | 201-121-3 |
CAS No. | 78-50-2 | Density | 0.861 g/cm3 |
PSA | 26.88000 | LogP | 9.43100 |
Solubility | insoluble in water | Melting Point |
50-55°C |
Formula | C24H51OP | Boiling Point | 408.842 °C at 760 mmHg |
Molecular Weight | 386.642 | Flash Point | 259.779 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 26-36/39-39 | Risk Codes | 38-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cyanex 921;Hostarex PX 324;TOPO;Tri-n-octylphosphine oxide;Trioctylphosphine oxide; |
Article Data | 33 |
Conditions | Yield |
---|---|
With fluorosulfonylchloride In dichloromethane for 1h; Ambient temperature; | 98% |
Stage #1: TOP With water; dihydrogen peroxide In toluene at 0 - 20℃; for 12h; Inert atmosphere; Stage #2: In toluene at 20℃; for 4h; Molecular sieve; | 90% |
In 1,2,4-trimethylbenzene at 25℃; for 1h; Inert atmosphere; | |
With selenium; octadec-1-ene |
Conditions | Yield |
---|---|
In chloroform at 50℃; for 2h; | 95.1% |
cyanex-921
Conditions | Yield |
---|---|
With water In toluene at 20℃; for 1h; | 92.6% |
TOP
4-chlorophenylphosphonoyl dichloride
A
cyanex-921
B
4-chlorophenyldichlorophosphine
Conditions | Yield |
---|---|
In dichloromethane | A n/a B 84% |
Conditions | Yield |
---|---|
With acetic acid at 120 - 135℃; for 8h; | 81.4% |
Conditions | Yield |
---|---|
With sodium amide; tert-butyl alcohol In tetrahydrofuran at 40℃; for 0.833333h; | 72% |
3-(4-chlorophenyl)-4-trioctylphosphiniminofurazan
A
cyanex-921
B
azoxy(4-chlorophenylfurazan)
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane for 2h; Heating; | A n/a B 60% |
Conditions | Yield |
---|---|
In toluene; Petroleum ether | 39% |
With hydrogenchloride; trichlorophosphate In 5,5-dimethyl-1,3-cyclohexadiene; diethyl ether; water |
1-bromo-octane
A
oxyde de dioctyl phosphine
B
cyanex-921
C
octylphosphinic acid
Conditions | Yield |
---|---|
With potassium hydroxide semihydrate; phosphorus; N-benzyl-N,N,N-triethylammonium chloride In toluene at 60 - 62℃; for 5h; Reagent/catalyst; Inert atmosphere; | A n/a B n/a C 19% |
octylmagnesium bromide
cyanex-921
Conditions | Yield |
---|---|
With diethyl ether; trichlorophosphate | |
With trichlorophosphate |
The IUPAC name of Tri-n-octylphosphine oxide is 1-Dioctylphosphoryloctane. With the CAS registry number 78-50-2, it is also named as Trioctyl phosphine oxide. The product's category is Phosphine Oxides and Sulfides, and the other registry number is 129406-23-1. Besides, it is white crystalline powder, which should be stored in closed, cool and dry place. In addition, this chemical is stable and incompatible with strong oxidizing agents, but insoluble in water.
The other characteristics of this product can be summarized as: (1)EINECS: 201-121-3; (2)ACD/LogP: 10.25; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 10.251; (5)ACD/LogD (pH 7.4): 10.251; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 8984523; (9)ACD/KOC (pH 7.4): 8984523; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 21; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 120.111 cm3; (15)Molar Volume: 448.845 cm3; (16)Surface Tension: 30.999 dyne/cm; (17)Density: 0.861 g/cm3; (18)Flash Point: 259.779 °C; (19)Melting point: 50-55 °C; (20)Enthalpy of Vaporization: 63.523 kJ/mol; (21)Boiling Point: 408.842 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Tri-n-octylphosphine oxide: this chemical can be prepared by Trioctylphosphane.
This reaction needs sulfuryl chloride fluoride and CH2Cl2 at ambient temperature. The reaction time is 1 hour. The yield is 98 %.
Uses of Tri-n-octylphosphine oxide: this chemical is used as extracting agent and solvent. And it also can react with 4-(4-Chloro-phenyl)-furazan-3-ylamine to get 3-(4-Chlorophenyl)-4-trioctylphosphiniminofurazan.
This reaction needs Trifluoromethanesulfonic anhydride and CH2Cl2 at temperature of -5 °C for 0.5 h. The yield is 93 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to skin. And it is also risk of serious damage to the eyes. You should wear suitable protective clothing. and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
(2)InChI:InChI=1/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
(3)InChIKey:ZMBHCYHQLYEYDV-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
(5)Std. InChIKey:ZMBHCYHQLYEYDV-UHFFFAOYSA-N
The toxicity data is as follows:
1. | skn-rbt 500 µL/24H MOD | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534743 . | ||
2. | eye-rbt 100 mg/24H SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0572000 . |