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23906-97-0

Basic Information
CAS No.: 23906-97-0
Name: TETRA-N-OCTYLPHOSPHONIUM BROMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 23906-97-0 (TETRA-N-OCTYLPHOSPHONIUM BROMIDE)
Formula: C32H68BrP
Molecular Weight: 563.77
Synonyms: TETRAOCTYLPHOSPHONIUM BROMIDE;TETRA-N-OCTYLPHOSPHONIUM BROMIDE;TetraoctylphosphoniuM broMide, Min. 95%;Cyphos 166;Cyphos IL 166
EINECS: 245-935-7
Melting Point: 38-43 °C(lit.)
Flash Point: >230 °F
Appearance: White to Off-White
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
Transport Information: UN 3261
PSA: 13.59000
LogP: 9.45000
Synthetic route
111-83-1

1-bromo-octane

23906-97-0

tetra-n-octylphosphonium bromide

Conditions
ConditionsYield
(i) /BRN= 1733136/, phosphorus, I2, (ii) Na, (iii) /BRN= 1733136/; Multistep reaction;
(i) /BRN= 1733136/, Mg, (ii) PCl3, (iii) /BRN= 1733136/; Multistep reaction;
111-83-1

1-bromo-octane

23906-97-0

tetra-n-octylphosphonium bromide

Conditions
ConditionsYield
at 108℃;
at 70℃; for 16h; Inert atmosphere;
at 160℃; for 20h; Inert atmosphere;

C42H42N28O14*C32H68P(1+)*Br(1-)

A

23906-97-0

tetra-n-octylphosphonium bromide

B

259886-50-5

cucurbituril

Conditions
ConditionsYield
In methanol; water Equilibrium constant;
23906-97-0

tetra-n-octylphosphonium bromide

90076-65-6

bis(trifluoromethane)sulfonimide lithium

tetra-n-octylphosphonium bis(triuoromethylsulfonyl)imide

Conditions
ConditionsYield
In dichloromethane; water97%
In chloroform; water for 24h;
In dichloromethane; water at 20℃; for 12h;
23906-97-0

tetra-n-octylphosphonium bromide

29420-49-3

potassium nonaflate

tetraoctylphosphonium nonafluorobutane-1-sulfonate

Conditions
ConditionsYield
In dichloromethane; water96%
13755-29-8

sodium tetrafluoroborate

23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium tetrafluoroborate

Conditions
ConditionsYield
In pentan-1-ol94.2%
23906-97-0

tetra-n-octylphosphonium bromide

5466-54-6

disodium cis-1,2-dicyano-1,2-ethylenedithiolate

2C32H68P(1+)*C4N2S2(2-)

Conditions
ConditionsYield
In ethanol
16063-70-0

2,3,5-trichloropyridine

23906-97-0

tetra-n-octylphosphonium bromide

A

823-56-3

2-Fluoro-3,5-dichloropyridine

B

89402-43-7

5-chloro-2,3-difluoropyridine

Conditions
ConditionsYield
With potassium fluoride; potassium carbonate; cesium fluoride In sulfolane

ammonium μ-nitridohexasulphatotriaquotri-iridate(III, IV, IV)

23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium μ-nitridohexasulphatotriaquotri-iridate(III, IV, IV)

Conditions
ConditionsYield
In sulfuric acid; benzene aq. H2SO4; satn. of phosphonium salt (in benzene) by soln. of Ir-complex (in 0.01 MH2SO4); evapn. (vac., room temp.); elem. anal.;

potassium μ-oxohexasulphatotriaquotri-iridate(III, III, IV)

23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium μ-oxohexasulphatotriaquotri-iridate(III, III, IV)

Conditions
ConditionsYield
In sulfuric acid; benzene aq. H2SO4; satn. of phosphonium salt (in benzene) by soln. of Ir-complex (in 0.01 MH2SO4); evapn. (vac., room temp.); elem. anal.;
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Specification

The Phosphonium,tetraoctyl-, bromide (1:1) has CAS registry number 23906-97-0. It belongs to the product categories of Phosphonium Compounds; Greener Alternatives; Catalysis; Phase Transfer Catalysts; Phosphonium Salts. Its EINECS number is 245-935-7. This chemical's molecular formula is C32H68BrP and molecular weight is 563.76. What's more, its IUPAC name is tetraoctylphosphanium bromide.

Physical properties of Phosphonium,tetraoctyl-, bromide (1:1) are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 28; (4)Polar Surface Area: 0 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].[P+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
(2)Std. InChI: InChI=1S/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
(3)Std. InChIKey: QVBRLOSUBRKEJW-UHFFFAOYSA-M