Product Name

  • Name

    TETRA-N-OCTYLPHOSPHONIUM BROMIDE

  • EINECS 245-935-7
  • CAS No. 23906-97-0
  • Article Data7
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 38-43 °C(lit.)
  • Formula C32H68BrP
  • Boiling Point
  • Molecular Weight 563.77
  • Flash Point >230 °F
  • Transport Information UN 3261
  • Appearance White to Off-White
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 23906-97-0 (TETRA-N-OCTYLPHOSPHONIUM BROMIDE)
  • Hazard Symbols IrritantXi
  • Synonyms TETRAOCTYLPHOSPHONIUM BROMIDE;TETRA-N-OCTYLPHOSPHONIUM BROMIDE;TetraoctylphosphoniuM broMide, Min. 95%;Cyphos 166;Cyphos IL 166
  • PSA 13.59000
  • LogP 9.45000

Synthetic route

1-bromo-octane
111-83-1

1-bromo-octane

tetra-n-octylphosphonium bromide
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;
1-bromo-octane
111-83-1

1-bromo-octane

tetra-n-octylphosphonium bromide
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-)

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

A

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

B

cucurbituril
259886-50-5

cucurbituril

Conditions
ConditionsYield
In methanol; water Equilibrium constant;
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

bis(trifluoromethane)sulfonimide lithium
90076-65-6

bis(trifluoromethane)sulfonimide lithium

tetra-n-octylphosphonium bis(triuoromethylsulfonyl)imide

tetra-n-octylphosphonium bis(triuoromethylsulfonyl)imide

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

tetra-n-octylphosphonium bromide

potassium nonaflate
29420-49-3

potassium nonaflate

tetraoctylphosphonium nonafluorobutane-1-sulfonate

tetraoctylphosphonium nonafluorobutane-1-sulfonate

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

sodium tetrafluoroborate

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium tetrafluoroborate

tetraoctylphosphonium tetrafluoroborate

Conditions
ConditionsYield
In pentan-1-ol94.2%
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

disodium cis-1,2-dicyano-1,2-ethylenedithiolate
5466-54-6

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

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

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

Conditions
ConditionsYield
In ethanol
2,3,5-trichloropyridine
16063-70-0

2,3,5-trichloropyridine

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

A

2-Fluoro-3,5-dichloropyridine
823-56-3

2-Fluoro-3,5-dichloropyridine

B

5-chloro-2,3-difluoropyridine
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)

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

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

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

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)

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

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

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

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.;
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

tetra-n-octylphosphonium formate
40333-00-4

tetra-n-octylphosphonium formate

Conditions
ConditionsYield
With Amberlite IRN-78 In methanol; water
With Amberlite IRN 78 In methanol; water
(R)-Mecoprop
16484-77-8

(R)-Mecoprop

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium (+)-(R)-2-(4-chloro-2-methylphenoxy)-propionate
1314005-20-3

tetraoctylphosphonium (+)-(R)-2-(4-chloro-2-methylphenoxy)-propionate

Conditions
ConditionsYield
Stage #1: (R)-Mecoprop With sodium hydroxide In water at 59.84℃;
Stage #2: tetra-n-octylphosphonium bromide In water
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

silver nitrate

silver nitrate

tetra-n-octylphosphonium nitrate
29578-61-8

tetra-n-octylphosphonium nitrate

Conditions
ConditionsYield
In dichloromethane; water at 20℃; for 0.5h;
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

tetra-n-octylphosphonium formate

tetra-n-octylphosphonium formate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pentan-1-ol
2: isopropyl alcohol / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: sodium tetrafluoroborate / water; dichloromethane
2: isopropyl alcohol / 16 h
View Scheme
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

tetraoctylphosphonium tetrafluoroborate

tetraoctylphosphonium tetrafluoroborate

Conditions
ConditionsYield
With sodium tetrafluoroborate In dichloromethane; water
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

4,6-dimethyl-2-meraptopyrimidine
22325-27-5

4,6-dimethyl-2-meraptopyrimidine

C32H68P(1+)*C6H7N2S(1-)

C32H68P(1+)*C6H7N2S(1-)

Conditions
ConditionsYield
Stage #1: 4,6-dimethyl-2-meraptopyrimidine With potassium hydroxide In methanol at 60℃; for 0.666667h;
Stage #2: tetra-n-octylphosphonium bromide for 30h;
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

C32H68P(1+)*CH4O3P(1-)

C32H68P(1+)*CH4O3P(1-)

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Amberlite IRN 78 / methanol; water
2: methanol; water
View Scheme
potassium perfluoro-n-octanesulfonate
2795-39-3

potassium perfluoro-n-octanesulfonate

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

C8F17O3S(1-)*C32H68P(1+)

C8F17O3S(1-)*C32H68P(1+)

Conditions
ConditionsYield
In acetone at 20℃; for 24h;
In methanol at 20℃; for 24h;
C7H5N2O3S2(1-)*Ag(1+)

C7H5N2O3S2(1-)*Ag(1+)

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

C32H68P(1+)*C7H4N2O3S2(2-)*Ag(1+)

C32H68P(1+)*C7H4N2O3S2(2-)*Ag(1+)

Conditions
ConditionsYield
In toluene for 0.05h;80 mg
C3H7O3S2(1-)*Ag(1+)

C3H7O3S2(1-)*Ag(1+)

tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

C3H6O3S2(2-)*Ag(1+)*C32H68P(1+)

C3H6O3S2(2-)*Ag(1+)*C32H68P(1+)

Conditions
ConditionsYield
In toluene for 0.05h;900 mg
tetra-n-octylphosphonium bromide
23906-97-0

tetra-n-octylphosphonium bromide

cucurbituril
259886-50-5

cucurbituril

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

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

Conditions
ConditionsYield
In methanol; water Equilibrium constant; Thermodynamic data;

Phosphonium,tetraoctyl-, bromide (1:1) 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

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