Tris(pentafluorophenyl)borane supplier

Name
Tris(pentafluorophenyl)borane
EINECS -0
CAS No. 1109-15-5
Article Data78
CAS DataBase
Density 1.707 g/cm³
Solubility
Melting Point 126-131 °C(lit.)
Formula C₁₈BF₁₅
Boiling Point 327.271 °C at 760 mmHg
Molecular Weight 511.985
Flash Point 151.728 °C
Transport Information UN 1268 3/PG 2
Appearance white powder
Safety 60-61-62-45-37/39-26-36
Risk Codes 36/37/38-25-67-65-50/53-11
Molecular Structure
Hazard Symbols Xn,Xi,T,N,F
Synonyms Tris(perfluorophenyl)boron;Borane,tris(pentafluorophenyl)- (7CI,8CI,9CI);Borane,tris(2,3,4,5,6-pentafluorophenyl)-;Tris(2,3,4,5,6-pentafluorophenyl)borane;Tris(pentafluorophenyl)boron;Tri(pentafluorophenyl)boron;Perfluorotriphenylboron;
PSA 0.00000
LogP 4.28930

Synthetic route

: 344-04-7
bromopentafluorobenzene

: 109-63-7
boron trifluoride diethyl etherate

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
Stage #1: bromopentafluorobenzene With magnesium In diethyl ether at 20℃; Stage #2: boron trifluoride diethyl etherate In toluene at 0℃; for 1h; Schlenk technique; Inert atmosphere; Stage #3: In diethyl ether; toluene at 100℃; for 1h; Schlenk technique; Inert atmosphere;	95%
Stage #1: bromopentafluorobenzene With magnesium In diethyl ether for 1h; Reflux; Stage #2: boron trifluoride diethyl etherate In toluene at 100℃; for 1h;	88%
Stage #1: bromopentafluorobenzene With magnesium In diethyl ether at 20℃; for 1h; Inert atmosphere; Stage #2: boron trifluoride diethyl etherate In toluene at 100℃; for 1h; Inert atmosphere;	88%

: 344-04-7
bromopentafluorobenzene

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
Stage #1: bromopentafluorobenzene With n-butyllithium In hexane at -80℃; for 0.666667h; Stage #2: With boron trichloride In hexane at -80 - 20℃;	85%
Multi-step reaction with 2 steps 1: n-BuLi / light petroleum; hexane / 1 h / -78 °C 2: 48 percent / boron tribromide / light petroleum; hexane / 15 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: magnesium; 1-bromo-butane / dibutyl ether / 2.5 h / 30 °C / Inert atmosphere 2: methyl cyclohexane; dibutyl ether / 2.5 h / 20 - 30 °C / Inert atmosphere View Scheme

: 344-04-7
bromopentafluorobenzene

: 10294-34-5
boron trichloride

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
Stage #1: bromopentafluorobenzene With n-butyllithium In hexane at -80℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: boron trichloride In hexane at -80 - 20℃; for 17h; Inert atmosphere; Schlenk technique; Glovebox;	84%
Stage #1: bromopentafluorobenzene With n-butyllithium In hexane; pentane at -78℃; for 1h; Stage #2: boron trichloride In hexane; pentane at 20℃;	68%
Stage #1: bromopentafluorobenzene With n-butyllithium In hexane at -80℃; for 1.5h; Inert atmosphere; Stage #2: boron trichloride In hexane at -80 - 25℃; Inert atmosphere;	67%

: 75-01-4
chloroethylene

: Zr(C10H8)2(CH3)(CH3)B(C6F5)3

: Zr(C20H16)Cl2

B: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In dichloromethane-d2 byproducts: atactic oligopropylene; Zr complex reacted with 15-fold excess of vinyl chloride at 25° for 5 min to produce a dark-red soln.; within 24 h at 25° the soln. turned to yellow; NMR monitoring; intermediates and products detd. by NMR spectra;	A 81% B n/a

...Expand

[Cu(C6F5)]4(η2-toluene)2: [Cu(C6F5)]4(η2-toluene)2

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With boron tribromide In dichloromethane	80%

: 109-63-7
boron trifluoride diethyl etherate

: 879-05-0
2,3,4,5,6-pentafluorophenylmagnesium bromide

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
	80%

: [pentafluorophenylcopper]4(η2-toluene)2

: 10294-33-4
boron tribromide

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In dichloromethane under N2; soln. of BBr3 (0.33 equiv) in CH2Cl2 added dropwise to soln. of (Cu(C6F5))4(η2-toluene)2 in CH2Cl2 at -78 °C; mixt. stirredat -78 °C for 1 h, allowed to slowly warm to room temp., and sti rred for addnl. 12 h; react. mixt. filtered through fritted glass disk and washed twice with CH2Cl2; all volatiles removed under vac.; crude product purified by high-vac. sublimation at 80 °C;	80%

Yield

In dichloromethane under N2; soln. of BBr3 (0.33 equiv) in CH2Cl2 added dropwise to soln. of (Cu(C6F5))4(η2-toluene)2 in CH2Cl2 at -78 °C; mixt. stirredat -78 °C for 1 h, allowed to slowly warm to room temp., and sti rred for addnl. 12 h; react. mixt. filtered through fritted glass disk and washed twice with CH2Cl2; all volatiles removed under vac.; crude product purified by high-vac. sublimation at 80 °C;

80%

: [pentafluorophenylcopper]4(η2-toluene)2

: 10294-33-4
boron tribromide

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 1012-83-5
(pentafluoro phenyl) dibromo borane

C: bromobis(pentafluorophenyl)-borane

Conditions

Conditions	Yield
In toluene under N2; soln. of BBr3 (1.00 equiv) in toluene added to soln. of (Cu(C6F5))4(η2-toluene)2 in toluene at -78 °C; mixt. stirred at -78°C for 1 h and then allowed to gradually warm to room temp.; products not sepd.; product distribution in supernatant estimated by (19)F-NMR spectroscopy;	A 10% B 74% C 16%
In toluene under N2; soln. of BBr3 (0.50 equiv) in toluene added to soln. of (Cu(C6F5))4(η2-toluene)2 in toluene at -78 °C; mixt. stirred at -78°C for 1 h and then allowed to gradually warm to room temp.; products not sepd.; product distribution in supernatant estimated by (19)F-NMR spectroscopy;	A 43% B 34% C 23%

...Expand

: (η5-C5H5)(η5-[C5H4B(C6F5)3])Ti *0.5C6H5CH3

: 107-08-4
1-iodo-propane

A: bis-cyclopentadienyltitanium(IV) diiodide

B: TiI(η5-cyclopentadienyl)(η5-C5H4B(C6F5)3)

C: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: propylene; under Ar; mixt. of Ti complex and n-propyl iodide stirred at 20°Cfor several minutes, stored for 24 h; soln. concd., stored at 20°C under Ar for 3 d, crystals sepd. by decantation, dried at 20°C for 2 h under vac., soln. evapd. undervac. to dryness, residue extd. with n-hexane; elem. anal.;	A 70% B 0% C n/a

...Expand

: 879-05-0
2,3,4,5,6-pentafluorophenylmagnesium bromide

: 10294-34-5
boron trichloride

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
at -15 - 20℃; Temperature;	63.8%

[Cu(C6F5)]4(η2-toluene)2: [Cu(C6F5)]4(η2-toluene)2

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 1012-83-5
(pentafluoro phenyl) dibromo borane

C: bromobis(pentafluorophenyl)-borane

Conditions

Conditions	Yield
With boron tribromide In dichloromethane	A 3 % Spectr. B 62% C 10 % Spectr.

...Expand

: 18206-43-4
(pentafluorophenyl)copper

: 10294-33-4
boron tribromide

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 1012-83-5
(pentafluoro phenyl) dibromo borane

C: bromobis(pentafluorophenyl)-borane

Conditions

Conditions	Yield
In dichloromethane under N2; soln. of C6F5Cu in CH2Cl2 added dropwise over 20 min to soln. of BBr3 (3 equiv) in CH2Cl2 at -78 °C; mixt. stirred at -78 °C for 1 h and then slowly warmed to room temp. and stirred for 3 h; mixt. filtered; volatiles slowly removed at -20 °C under high vac.; crude product distd. under dynamic vac. (DV) at ca. 50°C into cold trap (liq. N2), transferred under static vac. into storage flask and kept under DV at 0°C for 6 h;	A n/a B 62% C n/a

Yield

In dichloromethane under N2; soln. of C6F5Cu in CH2Cl2 added dropwise over 20 min to soln. of BBr3 (3 equiv) in CH2Cl2 at -78 °C; mixt. stirred at -78 °C for 1 h and then slowly warmed to room temp. and stirred for 3 h; mixt. filtered; volatiles slowly removed at -20 °C under high vac.; crude product distd. under dynamic vac. (DV) at ca. 50°C into cold trap (liq. N2), transferred under static vac. into storage flask and kept under DV at 0°C for 6 h;

A n/a
B 62%
C n/a

...Expand

: 363-72-4
Pentafluorobenzene

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With tert.-butyl lithium; boron trichloride In octane; hexane; di-isopropyl ether; pentane	61.3%
With n-butyllithium; boron trichloride In diethyl ether; hexane; toluene	55.8%

[Cu(C6F5)]4(η2-toluene)2: [Cu(C6F5)]4(η2-toluene)2

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 2720-03-8
bis(pentafluorophenyl)boron chloride

C: 830-48-8
dichloro(pentafluorophenyl)borane

Conditions

Conditions	Yield
With boron trichloride In dichloromethane	A 8 % Spectr. B 27 % Spectr. C 57%

...Expand

: 18206-43-4
(pentafluorophenyl)copper

: 10294-34-5
boron trichloride

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 2720-03-8
bis(pentafluorophenyl)boron chloride

C: 830-48-8
dichloro(pentafluorophenyl)borane

Conditions

Conditions	Yield
In dichloromethane under N2; soln. of C6F5Cu in CH2Cl2 added dropwise over 20 min to soln. of BCl3 (3 equiv) in CH2Cl2 at -78 °C; mixt. stirred at -78 °C for 1 h and then allowed to slowly warm to room temp. and stirred for 3 h; after filtration all volatiles slowly removed under high vac. first at -25 °C and subsequently over 3 h at 0 °C; crude product distd. under dynamic vac. at ca. 40 °C into cold trap (liq. N2); vac. transfer into storage flask;	A n/a B n/a C 57%

Yield

In dichloromethane under N2; soln. of C6F5Cu in CH2Cl2 added dropwise over 20 min to soln. of BCl3 (3 equiv) in CH2Cl2 at -78 °C; mixt. stirred at -78 °C for 1 h and then allowed to slowly warm to room temp. and stirred for 3 h; after filtration all volatiles slowly removed under high vac. first at -25 °C and subsequently over 3 h at 0 °C; crude product distd. under dynamic vac. at ca. 40 °C into cold trap (liq. N2); vac. transfer into storage flask;

A n/a
B n/a
C 57%

...Expand

: [pentafluorophenylcopper]4(η2-toluene)2

: 10294-34-5
boron trichloride

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 2720-03-8
bis(pentafluorophenyl)boron chloride

C: 830-48-8
dichloro(pentafluorophenyl)borane

Conditions

Conditions	Yield
In hexane; toluene under N2; soln. of BCl3 (1.00 equiv) in hexanes added to soln. of (Cu(C6F5))4(η2-toluene)2 in toluene at -78 °C; mixt. stirred at -78°C for 1 h and then allowed to gradually warm to room temp.; products not sepd.; product distribution in supernatant estimated by (19)F-NMR spectroscopy;	A 14% B 30% C 56%
In hexane; toluene under N2; soln. of BCl3 (0.50 equiv) in hexanes added to soln. of (Cu(C6F5))4(η2-toluene)2 in toluene at -78 °C; mixt. stirred at -78°C for 1 h and then allowed to gradually warm to room temp.; products not sepd.; product distribution in supernatant estimated by (19)F-NMR spectroscopy;	A 37% B 35% C 28%

...Expand

: 142-96-1
dibutyl ether

: 363-72-4
Pentafluorobenzene

: 3525-44-8
butylsodium

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In decane; hexane	52%

...Expand

: trans-2,6-dimethyl-2,6-diphenylpiperidiniumhydrido[tris(pentafluorophenyl)]borete

A: 207131-26-8
trans-2,6-dimethyl-2,6-diphenylpiperidine

B: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In (2)H8-toluene byproducts: H2; (Ar); borate was stirred in toluene-d8 at 110°C for 36 h; detected by NMR;	A 50% B 50%

: 1076-44-4
pentafluorophenyl lithium

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With boron tribromide In hexane; Petroleum ether for 15h; Ambient temperature;	48%

: 344-04-7
bromopentafluorobenzene

: 10294-33-4
boron tribromide

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With n-BuLi In hexane (N2); addn. of n-BuLi in hexane to C6BrF5 in light petroleum at -78°C, stirring (1 h), addn. of BBr3 in light petroleum at -78°C, further stirring (room temp., 15 h); filtration (Celite), concn., decantation, drying (vac.), further purifn.by vac. sublimation (140°C, E-1 Torr);	48%

: 121-43-7
Trimethyl borate

: 363-72-4
Pentafluorobenzene

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With tert.-butyl lithium In octane; diethyl ether; pentane	45%

: 212619-93-7
tris(perfluorophenyl)borane-acetonitrile adduct

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
byproducts: CH3CN; vac. (1E-5 Torr);	0%
at 84.84℃; under 0.09 Torr; for 72h; Thermodynamic data; Time; Inert atmosphere; Sealed tube;

: diphenyliodonium tetrakis(pentafluorophenyl)borate

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In chloroform-d1 Product distribution; Photolysis;

: 879-05-0
2,3,4,5,6-pentafluorophenylmagnesium bromide

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether at 28 - 37℃; for 3.33333 - 4h;
With boron trifluoride diethyl etherate In diethyl ether; toluene at 28 - 40℃; for 2h; Reactivity;

: [(C5H5)2Zr(C6F5)(μ-H)]2

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With [Ph3C][BBun(C6F5)4-n] In benzene-d6 Ar-atmosphere, NMR tube; detd. by NMR spectroscopy;

: 344-04-7
bromopentafluorobenzene

: 109-63-7
trifluoroborane diethyl ether

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
With magnesium In diethyl ether; toluene refluxing (1 h), ether removal, heating (100°C, 18 h); evapn., sublimation, cecrystn. (hexane);

: 109-72-8, 29786-93-4
n-butyllithium

: 344-04-7
bromopentafluorobenzene

: 10294-34-5
boron trichloride

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In pentane BCl3 is added to a stirred suspension of n-butyllithium and pentafluorophenyl bromide in pentane at -78°C; warming up slowly to room temp.;

...Expand

: 10294-34-5
boron trichloride

: 1076-44-4
pentafluorophenyl lithium

: 1109-15-5
tris(pentafluorophenyl)borate

Conditions

Conditions	Yield
In pentane suspension in pentane, reaction at 25°C;;	30-50
In hexane at -80 - 20℃; for 2h; Inert atmosphere;

: 879-05-0
2,3,4,5,6-pentafluorophenylmagnesium bromide

: 10294-34-5
boron trichloride

A: 1109-15-5
tris(pentafluorophenyl)borate

B: 2720-03-8
bis(pentafluorophenyl)boron chloride

...Expand

: 288-32-4
1H-imidazole

: 1109-15-5
tris(pentafluorophenyl)borate

: 121-44-8
triethylamine

: (μ-(1H-imidazolato-κ-N1:κ-N3))hexakis(pentafluorophenyl)di-borate(1-), N,N-diethylethanamine

Conditions

Conditions	Yield
In toluene for 5h; Heating;	100%
In toluene at 20℃;	91.9%
In toluene to soln. B(C6F5)3 and imidazole in toluene triethylamine in toluene wasadded, react. mixt. was stirred overnight at room temp.; soln. was concd., hexane was added, ppt. was filtered, washed with hexane and dried under reduced pressure; elem. anal.;	91.9%

...Expand

: 1109-15-5
tris(pentafluorophenyl)borate

: 75-05-8
acetonitrile

: 212619-93-7
tris(perfluorophenyl)borane-acetonitrile adduct

Conditions

Conditions	Yield
Inert atmosphere; Sealed tube;	100%
In pentane Ar-atmosphere; pptn. Lewis base dropwise addn., stirring (room temp., 2 h); filtering, washing (pentane), drying (vac.); elem. anal.;	94%
In acetonitrile; pentane stirring at room temp. for 1 h; evapn., drying (vac., 1E-5 Torr, room temp.); elem. anal.;	89%
In pentane Schlenk techniques; MeCN added to suspn. of B(C6F5)3 (molar ratio 3.4:1) in pentane; stirred for 1 h; filtered; ppt. dried in vac.;	78%
With 2,6-dimethylpyridine In toluene N2 glove box; mixt. 2,6-lutidine, B(C6F5)3 and MeCN (1:1:1 mol) in toluene stirred for 20 min; evapd. (vac.); NMR;

: 109-97-7
pyrrole

: 1109-15-5
tris(pentafluorophenyl)borate

: 333334-62-6
N-[tris(pentafluorophenyl)borane]-5H-pyrrole

Conditions

Conditions	Yield
In dichloromethane at 20℃;	100%

: 361191-22-2
[η5-cyclopentadienyl(bis(dimethylsilyl(η1-tert-butylamido)))](benzyl)zirconium

: 1109-15-5
tris(pentafluorophenyl)borate

: [Zr(η(5)-C5H3-1,3-[SiMe2(η(1)-NtBu)]2)](+)[(CH2Ph)B(C6F5)3](-)

Conditions

Conditions	Yield
at 25℃; Schlenk technique; Glovebox; Inert atmosphere;	100%
In toluene all manipulations under Ar atm.; soln. of complex treated with B compd. at room temp., stirred for 30 min; cooled to -35°C, filtered, dried in vac., elem. anal.;	83%
In benzene-d6 in sealed NMR tube;
In toluene detd. by NMR;

: 213386-22-2
(t)BuC(N(i)Pr)2GaMe2

: 1109-15-5
tris(pentafluorophenyl)borate

: [((CH3)3CC(NCH(CH3)2)2)Ga(CH3)2((CH3)3CC(NCH(CH3)2)2)GaCH3](1+)*[CH3B(C6F5)3](1-)

Conditions

Conditions	Yield
In further solvent(s) under N2; in C6D5Cl, 23°C, 15 min; not isolated; NMR;	100%

: (MeC(N(isopropyl))2)AlMe2

: 1109-15-5
tris(pentafluorophenyl)borate

: 194655-50-0, 258518-85-3
[(CH3C(NCH(CH3)2)2)2Al2(CH3)3](1+)*[CH3B(C6F5)3](1-)=[(CH3C(NCH(CH3)2)2)2Al2(CH3)3][CH3B(C6F5)3]

Conditions

Conditions	Yield
In further solvent(s) under N2; in C6D5Cl, 23°C, 10 min; not isolated; NMR;	100%
In dichloromethane under N2; 23°C, 30 min; evapn. under vac., trituration with pentane; elem. anal.;	83%

: [Al(1-(3,5-di-tert-butyl-2-hydroxybenzyl)-4,7-diisopropyl-1,4,7-triazacyclononane)Me2]

: 1109-15-5
tris(pentafluorophenyl)borate

: [(C4H9)2C6H2CH2N3C6H12(C3H7)2OAlCH3](1+)*[CH3B(C6F5)3](1-)=[(C4H9)2C6H2CH2N3C6H12(C3H7)2OAlCH3][CH3B(C6F5)3]

Conditions

Conditions	Yield
In dichloromethane at room temp., 30 min; NMR;	100%

: 1109-15-5
tris(pentafluorophenyl)borate

: 75-24-1
trimethylaluminum

: 108-88-3
toluene

: tris(pentafluorophenyl)aluminum*(toluene)0.5

Conditions

Conditions	Yield
In hexane	100%
In hexane; toluene B(C6F5)3 and AlMe3 in 1:3 toluene/hexanes mixt.;	99%
In hexane; toluene (inert atm.); reaction of borane deriv. with trimethylaluminium in hexane/toluene (3:1);	99%

...Expand

: {CH3C(NCH(CH3)2)N(Ga(CH3)2)CH(CH3)2}

: 1109-15-5
tris(pentafluorophenyl)borate

: 258518-92-2
[(CH3C(NCH(CH3)2)2)2Ga2(CH3)3](1+)*[CH3B(C6F5)3](1-)=[(CH3C(NCH(CH3)2)2)2Ga2(CH3)3][CH3B(C6F5)3]

Conditions

Conditions	Yield
In further solvent(s) under N2; in C6D5Cl, 23°C, 15 min; not isolated; NMR;	100%
In hexane; dichloromethane under N2; 23°C, 3 h; solid filtered off, washed with hexane and dried under vac.; elem. anal.;	71%

: 219627-13-1
Cp2ZrMe(pentafluorophenyl)

: 1109-15-5
tris(pentafluorophenyl)borate

: (C5H5)2Zr(C6F5)(μ-CH3)B(C6F5)

Conditions

Conditions	Yield
In dichloromethane-d2 NMR tube, -78°C; detd. by NMR spectroscopy;	100%

: 197858-65-4
Zr(η3-C4H7)(η4-1,3-butadiene)(η5-1,3-C5H3(Si(CH3)3)2)

: 1109-15-5
tris(pentafluorophenyl)borate

: 197980-26-0, 197858-73-4, 197980-27-1
[Zr(C6F5)(CH2CHCHCHB(C6F5)2)(C5H3(Si(CH3)3)2)]

Conditions

Conditions	Yield
In (2)H8-toluene (N2); addn. of B(C6F5)3 in toluene-d8 at -60°C to the Zr complexin toluene-d8, warming to room temp.; NMR monitoring;	100%

: fac ((CH3)3P)3Ir(CH3)SiH(C6H2(CH3)3)H

: 1109-15-5
tris(pentafluorophenyl)borate

: [fac-(trimethylphosphine)3Ir(Si(2,4,6-trimethylphenyl)2)(H)2][CH3B(C6F5)3]

Conditions

Conditions	Yield
In dichloromethane	100%
In dichloromethane under N2; a soln. of B(C6F5)3 in CH2Cl2 was added to a soln. of Ir complex in CH2Cl2, the soln. was stirred for 5 min; the mixt. was evapd. in vac.; elem. anal.;	88%

: (C6H5CH2)2Zr(C12H24O4N2)

: 1109-15-5
tris(pentafluorophenyl)borate

: 189331-72-4
(C6H5CH2)Zr(C12H24O4N2)(1+)*(C6H5CH2)B(C6F5)3(1-)=[(C6H5CH2)Zr(C12H24O4N2)][(C6H5CH2)B(C6F5)3]

Conditions

Conditions	Yield
In benzene	100%

: [Hf(C3H5)(C4H5(CH3))(C5H3(Si(CH3)3)2)]

: 1109-15-5
tris(pentafluorophenyl)borate

: 197858-94-9
[Hf(C3H5)(CH2C(CH3)CHCH2B(C6F5)3)(C5H3(Si(CH3)3)2)]

Conditions

Conditions	Yield
In (2)H8-toluene (N2); addn. of B(C6F5)3 in toluene-d8 at -40°C to the Hf complex in toluene-d8; NMR monitoring;	100%

: rac-bis[η(5)-[1-(N,N-dimethylamino)-1-methylbenzyl]cyclopentadienyl]dimethylzirconium

: 1109-15-5
tris(pentafluorophenyl)borate

: (C5H4C(CH3)(C6H5)N(CH3)CH2)Zr(C5H4C(CH3)(C6H5)N(CH3)2)(1+)*CH3B(C6F5)3(1-)=[(C15H17N)Zr(C15H18N)][CH3B(C6F5)3]

Conditions

Conditions	Yield
In dichloromethane-d2 Ar-atmosphere, room temp.; detd. by NMR spectroscopy;	100%

: 158789-52-7
nitrido(tetra-tert-butylphthalocyaninato)rhenium(V)

: 1109-15-5
tris(pentafluorophenyl)borate

: 582295-89-4
((CH3)3CC8H3NN)4ReNB(C6F5)3

Conditions

Conditions	Yield
In dichloromethane Re compd. dissolved in CH2Cl2 and cooled to -5°C, electrophile added dropwise to this soln., stirred for 6 h at -5°C; solvent removed at -5°C, elem. anal.;	100%

: 109-99-9
tetrahydrofuran

: 1109-15-5
tris(pentafluorophenyl)borate

: tris(pentafluorophenyl)borane tetrahydrofuran solvate

Conditions

Conditions	Yield
for 0.333333h; Inert atmosphere;	100%
In tetrahydrofuran; toluene (Ar); Schlenk technique; THF was added to soln. of B compd. in toluene; vilatiles removed; dried (vac.);
In toluene (inert atm.); addn. of THF to toluene soln. of borane deriv. at room temp.; drying in vac.;

: [(W(NC6H5)(CH3C(2-C5H4N)(CH2NSi(CH3)3)2)CH3)2(μ-CH3)][CH3B(C6F5)3]

: 1109-15-5
tris(pentafluorophenyl)borate

: 505074-86-2
W(CH3)(NC6H5)(NC5H4C(CH3)(CH2NSi(CH3)3)2)(1+)*(CH3)B(C6F5)3(1-)=W(CH3)(NC6H5)(NC5H4C(CH3)(CH2NSi(CH3)3)2)(CH3)B(C6F5)3

Conditions

Conditions	Yield
In not given treatment of W-complex with equivalent of B-compound;	100%

: 852457-56-8
[(η5-1,3-(SiMe2-η-N-t-Bu)2-cyclopentadienyl)(methyl)zirconium]

: 1109-15-5
tris(pentafluorophenyl)borate

: 922165-89-7
(zirconium)(C5H3(SiMe2(η1-NtBu))2)B(C6F5)3(Me)

Conditions

Conditions	Yield
at 25℃; Schlenk technique; Glovebox; Inert atmosphere;	100%
In benzene-d6 in sealed NMR tube; elem. anal.;

: 42491-34-9
di-tert-butyl(trimethylsilyl)phosphane

: 1109-15-5
tris(pentafluorophenyl)borate

: [(t-Bu)2PC6F4B(C6F5)2]

Conditions

Conditions	Yield
In benzene at 20℃;	100%
In benzene byproducts: (CH3)3SiF; mixing phosphorus compd., boron compd. in C6H6 at room temp.; evapn.;

: 16486-69-4
N,N'-(1,4-phenylenebis(methylene))bis(2-methylpropan-2-amine)

: 1109-15-5
tris(pentafluorophenyl)borate

: [1,4-C6H4(CH2NH2tBu)2][HB(C6F5)3]2

Conditions

Conditions	Yield
With hydrogen In toluene at -196 - 25℃; under 3040.2 Torr; Inert atmosphere; three freeze-pump-thaw cycles;	100%

: 1109-15-5
tris(pentafluorophenyl)borate

: 50420-46-7
dicyclohexylmethylphosphine

: 1394257-07-8
Cy2MeP-B(C6F5)3

Conditions

Conditions	Yield
Stage #1: dicyclohexylmethylphosphine With B,B'-dibromo-B,B'-dimesityldiborane(4) In dichloromethane-d2 Stage #2: tris(pentafluorophenyl)borate In dichloromethane-d2	100%

: [1-tris(3,5-dimethylphenyl)silyl-2,3,4,5-tetramethylcyclopentadienyl]trimethyltitanium

: 1109-15-5
tris(pentafluorophenyl)borate

: [{1-tris(3,5-dimethylphenyl)silyl-2,3,4,5-tetramethylcyclopentadienyl}dimethyltitanium cation][tris(pentafluorophenyl)methylborate]

Conditions

Conditions	Yield
In bromobenzene-d5 Inert atmosphere;	100%

: 1384526-43-5
(2,6-(C6H3But)2pyridine)Au(CF3CO2)

: 1109-15-5
tris(pentafluorophenyl)borate

: 142-29-0
cyclopentene

: 1422722-13-1
[(2,6-bis(4-tBuC6H3)2pyridine dianion)Au(eta2-cyclopentene)][CF3COOB(C6F5)4]

Conditions

Conditions	Yield
In dichloromethane-d2 at -78 - -40℃;	100%

...Expand

: 74-85-1
ethene

: 1384526-43-5
(2,6-(C6H3But)2pyridine)Au(CF3CO2)

: 1109-15-5
tris(pentafluorophenyl)borate

: 1422722-17-5
[(2,6-bis(4-tBuC6H3)2pyridine dianion)Au(eta2-C2H4)][CF3COOB(C6F5)4]

Conditions

Conditions	Yield
In dichloromethane-d2 at -78 - -30℃;	100%

...Expand

: 1632199-11-1
C14H14BrN

: 1109-15-5
tris(pentafluorophenyl)borate

: 1632293-77-6
C32H14BBrF15N

Conditions

Conditions	Yield
In toluene at 20℃; for 13h; Glovebox; Inert atmosphere;	100%

: 52458-08-9
2-(pent-4-en-1-yl)pyridine

: 1109-15-5
tris(pentafluorophenyl)borate

: 1632293-78-7
C28H13BF15N

Conditions

Conditions	Yield
In toluene for 13h; Glovebox; Inert atmosphere;	100%

: 1632199-15-5
2-(but-3-yn-1-yl)-6-methylpyridine

: 1109-15-5
tris(pentafluorophenyl)borate

: C27H9BF15N

Conditions

Conditions	Yield
In toluene at 20℃; for 13h; Inert atmosphere; Glovebox;	100%

: 13716-12-6
tri-tert-butyl phosphine

: 1109-15-5
tris(pentafluorophenyl)borate

: 15795-42-3
N-sulfinyl-4-methylaniline

: C37H34BF15NOPS

Conditions

Conditions	Yield
In toluene at 20℃; for 1h; Inert atmosphere;	100%

...Expand

: C36H47NO6P2PdS

: 1109-15-5
tris(pentafluorophenyl)borate

: C54H47BF15NO6P2PdS

Conditions

Conditions	Yield
In dichloromethane for 1h; Darkness;	100%

Tris(pentafluorophenyl)borane Specification

Tris(pentafluorophenyl)borane is an organic compound with the formula C₁₈BF₁₅, and its systematic name is the same with the product name. With the CAS registry number 1109-15-5, it is also named as Perfluorotriphenylboron. It belongs to the product categories of B (Classes of Boron Compounds); Boranes; BoronAlphabetic; Precursors by Metal; TP - TZ; Vapor Deposition Precursors;organoboron compound. In addition, the molecular weight is 511.98. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used to prepare organometallic complexes and polymerization catalysts.

Physical properties of Tris(pentafluorophenyl)borane are: (1)ACD/LogP: 5.905; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.91; (5)ACD/BCF (pH 5.5): 18096.46; (6)ACD/BCF (pH 7.4): 18096.46; (7)ACD/KOC (pH 5.5): 38830.45; (8)ACD/KOC (pH 7.4): 38830.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 81.331 cm³; (14)Molar Volume: 299.916 cm³; (15)Polarizability: 32.242×10^-24cm³; (16)Surface Tension: 28.94 dyne/cm; (17)Density: 1.707 g/cm³; (18)Flash Point: 151.728 °C; (19)Enthalpy of Vaporization: 54.693 kJ/mol; (20)Boiling Point: 327.271 °C at 760 mmHg ; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by pentafluorophenyllithium at the ambient temperature. This reaction will need reagent boron tribromide and solvents light petroleum, hexane with the reaction time of 15 hours. The yield is about 48%.

Tris(pentafluorophenyl)borane can be prepared by pentafluorophenyllithium at the ambient temperature

Uses of Tris(pentafluorophenyl)borane: it can be used to produce 2-pentafluorophenyl-1,3-dioxa-2-bora-cyclopenta[b]naphthalene at the temperature of 20 °C. It will need solvent toluene with the reaction time of 2 days. The yield is about 31%.

Tris(pentafluorophenyl)borane can be used to produce 2-pentafluorophenyl-1,3-dioxa-2-bora-cyclopenta[b]naphthalene at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. If swallowed, it will not induce vomiting, but you need to seek medical advice immediately and show this container or label. It is irritating to eyes, respiratory system and skin and is highly flammable. This substance is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(c(c(c(c1F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F
(2)Std. InChI: InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
(3)Std. InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N

Product Name

Tris(pentafluorophenyl)borane

Synthetic route

Tris(pentafluorophenyl)borane Specification

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