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Phosphine oxide,trioctyl- (78-50-2)

Identification
Name:Phosphine oxide,trioctyl-
Synonyms:Cyanex 921;Hostarex PX 324;TOPO;Tri-n-octylphosphine oxide;Trioctylphosphine oxide;
CAS:78-50-2
EINECS: 201-121-3
Molecular Formula: C24H51OP
Molecular Weight: 386.64
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
Molecular Structure: (C24H51OP) Cyanex 921;Hostarex PX 324;TOPO;Tri-n-octylphosphine oxide;Trioctylphosphine oxide;
Properties
Flash Point: 408.842 °C at 760 mmHg
Density:0.861 g/cm3
Stability:Stable. Incompatible with strong oxidizing agents.
Refractive index:1.447
Water Solubility:Insoluble
Solubility:Insoluble
Appearance:white crystalline powder
Specification:

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 .

Packinggroup: II
HS Code: 29310095
Flash Point: 408.842 °C at 760 mmHg
Storage Temperature: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Refrigerator (approx 4 C).
Usage:Mordant in dyeing, manufacture ink, sizing paper & silk, printing fabrics, tanning, as coagulant in rubber mfr, with gelatin & albumin for manufacture of imitation horn & tortoise shell, clarifying beer or wine, in photography, manufacture gallic acid & pyrogallol, as reagent in analytical chemistry.
Safety Data
 

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