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| CAS No.: | 13406-29-6 |
|---|---|
| Name: | TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE |
| Article Data: | 20 |
| Molecular Structure: | |
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|
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| Formula: | C21H12F9P |
| Molecular Weight: | 466.286 |
| Synonyms: | Phosphine,tris(a,a,a-trifluoro-p-tolyl)- (7CI,8CI);Tris[4-(trifluoromethyl)phenyl]phosphine;Tris[p-(trifluoromethyl)phenyl]phosphine; |
| Melting Point: | 70-75 °C |
| Boiling Point: | 382.8 °C at 760 mmHg |
| Flash Point: | 185.3 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 13.59000 |
| LogP: | 6.50120 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 13406-27-4
tris(4-trifluoromethylphenyl)phosphine oxide
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In cyclohexane at 72℃; for 14h; | 93% |
| Stage #1: tris(4-trifluoromethylphenyl)phosphine oxide With trityl tetrakis(pentafluorophenyl)borate In (2)H8-toluene at 20℃; Glovebox; Inert atmosphere; Stage #2: With phenylsilane In (2)H8-toluene at 80℃; for 6h; Glovebox; Inert atmosphere; Sealed tube; | 92% |
| With [AlH3(triethylamine)] In hexane at 20℃; for 0.166667h; Inert atmosphere; Schlenk technique; | 88 %Chromat. |
| With hexylsilane; trifluorormethanesulfonic acid In toluene at 70℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction; | >= 99 %Spectr. |
| With 2,6-dimethylpyridine; oxalyl dichloride; hydrogen; tris(2,6-difluorophenyl)borane triethylphosphine oxide In (2)H8-toluene at 130℃; under 3000.3 Torr; for 48h; Reagent/catalyst; | 57 %Spectr. |
- 402-43-7
p-trifluoromethylphenyl bromide
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| Stage #1: p-trifluoromethylphenyl bromide With magnesium dihydride In diethyl ether at 20℃; for 1h; Stage #2: With phosphorus trichloride In diethyl ether at 20℃; for 1h; | 72% |
| Stage #1: p-trifluoromethylphenyl bromide With magnesium In diethyl ether for 2h; Reflux; Schlenk technique; Inert atmosphere; Stage #2: With phosphorus trichloride In diethyl ether at 0℃; for 1h; Reflux; Schlenk technique; Inert atmosphere; | 63% |
| With phosphorus trichloride 2) Et2O, reflux, 1h; Yield given. Multistep reaction; |
- 198345-82-3
(4-(trifluoromethyl)phenyl)zinc(II) bromide
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| With phosphorus trichloride In acetonitrile at 20℃; for 2h; | 53% |
- 402-43-7
p-trifluoromethylphenyl bromide
- 7719-12-2, 52843-90-0
phosphorus trichloride
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; n-butyllithium In diethyl ether; hexane; water | 35% |
- 402-51-7
4-(trifluoromethyl)phenylmagnesium bromide
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| With phosphorus trichloride |
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
- 13406-27-4
tris(4-trifluoromethylphenyl)phosphine oxide
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In dichloromethane; water at 20℃; for 3h; Glovebox; Inert atmosphere; | 100% |
| With gold(III) complex supported on cellulose extracted from Carthamus tinctorius immobilized on nanofibrous phosphosilicate; air at 20℃; for 1h; Irradiation; | 99% |
| With dihydrogen peroxide In dichloromethane; water for 0.75h; cooling; | 97% |
- 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In benzene at 100℃; for 6h; Inert atmosphere; Sealed tube; | 100% |
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; | 100% |
- 13406-29-6
tris(para-trifluoromethyl)phenyl phosphine
| Conditions | Yield |
|---|---|
| In dichloromethane under inert atm. soln. TpOs(N)Cl2 andphosphine ligand in CH2Cl2 was stirred for 1 h; soln. was concd., hexane was added, ppt. was washed with Et2O and recrystd. from CH2Cl2 and heptane; elem. anal.; | 97% |
| Conditions | Yield |
|---|---|
| In acetone all manipulations under dry N2 atm.; 2 equiv. of P compd. added to soln.of Rh compd., stirred at room temp. (checked for completion by TLC); solvent removed in vac., isolated as crystalline solid; elem. anal.; | 97% |
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Specification
The Phosphine,tris[4-(trifluoromethyl)phenyl]-, with CAS registry number 13406-29-6, belongs to the following product category: Ligand. It has the systematic name of tris[4-(trifluoromethyl)phenyl]phosphane. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C21H12F9P.
Physical properties of Phosphine,tris[4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.41; (4)ACD/LogD (pH 7.4): 7.41; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 13.59 Å2; (9)Flash Point: 185.3 °C; (10)Enthalpy of Vaporization: 60.66 kJ/mol; (11)Boiling Point: 382.8 °C at 760 mmHg; (12)Vapour Pressure: 1.01E-05 mmHg at 25°C.
Uses of Phosphine,tris[4-(trifluoromethyl)phenyl]-: it can be used to produce Difluortris(p-trifluormethylphenyl)phosphoran. This reaction will need reagent 10 % IF5 and solvent acetonitrile. The reaction temperature is 0 ℃. The yield is about 34.2%.
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When you are using this chemical, please be cautious about it as the following:
The Phosphine,tris[4-(trifluoromethyl)phenyl]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(F)(F)F)P(c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F
(2)InChI: InChI=1/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
(3)InChIKey: PXYCJKZSCDFXLR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
(5)Std. InChIKey: PXYCJKZSCDFXLR-UHFFFAOYSA-N