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Name	Tetrabutylammonium hexafluorophosphate	EINECS	221-472-6
CAS No.	3109-63-5	Density	N/A
PSA	13.59000	LogP	8.38600
Solubility	N/A	Melting Point	244-246 ºC
Formula	C₁₆H₃₆N^.PF₆	Boiling Point	242-246 °C
Molecular Weight	387.433	Flash Point	N/A
Transport Information	1759	Appearance	off-white powder
Safety	26-36/37	Risk Codes	36/37/38-22
Molecular Structure		Hazard Symbols	,Xn
Synonyms	1-Butanaminium, N,N,N-tributyl-, hexafluorophosphate(1-);1-Butanaminium, N,N,N-tributyl-, hexafluorophosphate(1-) (1:1);	Article Data	21

Tetrabutylammonium hexafluorophosphate Synthetic route

: 1643-19-2
tetrabutylammomium bromide

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
With trimethyl phosphite; hexafluorophosphoric acid at 0 - 60℃; for 15h; Inert atmosphere; neat (no solvent);	96%
With potassium hexafluorophosphate In dichloromethane; water at 20℃; for 24h;	88%
With potassium hexafluorophosphate In dichloromethane; water at 20℃; for 24h;	88%

[N(nBu)4]X; X = halide: [N(nBu)4]X; X = halide

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
With silver(I) hexafluorophosphate In dichloromethane; acetonitrile at 20℃; for 10h; Darkness;	92%

: 1112-67-0
tetrabutyl-ammonium chloride

: 762-04-9
phosphonic acid diethyl ester

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
Stage #1: phosphonic acid diethyl ester With potassium fluoride; oxalyl dichloride In acetonitrile at 20℃; Glovebox; Sealed tube; Inert atmosphere; Stage #2: tetrabutyl-ammonium chloride In water at 20℃; for 0.166667h; Glovebox; Sealed tube; Inert atmosphere;	59%

: 67-56-1
methanol

: C16H36N(1+)*CH4O*F6P(1-)

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
In dichloromethane at 26℃; Equilibrium constant; 1.3 - 1.5 M-1;

: ammonium hexafluorophosphate

: 1643-19-2
tetrabutylammomium bromide

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
In not given recrystn.(ethanol/water), drying (vacuo, 24 h, 80°C);

: ((η3-methallyl)Ni(cod))PF6

: tri(3-sulfonatophenyl)phosphine tri(tetrabutylammonium)

A: (CH2C(CH3)CH2)Ni(C8H12)P(C6H4SO3Ni(CH2C(CH3)CH2))2(C6H4SO3)(1-)

B: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

C: 5259-72-3, 10060-40-9, 111-78-4
1,5-dicyclooctadiene

Conditions

Conditions	Yield
In dichloromethane addn. of TPPTSNBu4 to Ni-compd. (high 2/1 ratio) in CH2Cl2, room temp.; detd. spectr.; sepn. of cod by evapn.; pptn. of NBu4PF6;

: ((η3-methallyl)Ni(cod))PF6

: tri(3-sulfonatophenyl)phosphine tri(tetrabutylammonium)

A: (CH2C(CH3)CH2)Ni(C8H12)P(C6H4SO3)3(3-)*2N(C4H9)4(1+)

B: (CH2C(CH3)CH2)Ni(C8H12)P(C6H4SO3)2(C6H4SO3Ni(CH2C(CH3)CH2))(2-)*N((CH2)3CH3)4(1+)

C: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

D: 5259-72-3, 10060-40-9, 111-78-4
1,5-dicyclooctadiene

Conditions

Conditions	Yield
In dichloromethane addn. of TPPTSNBu4 to Ni-compd. (low 2/1 ratio) in CH2Cl2, room temp.; detd. spectr.; sepn. of cod by evapn.; pptn. of NBu4PF6;

...Expand

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
With hexafluorophosphate In water
With hexafluorophosphoric acid In water
With hexafluorophosphoric acid In water Inert atmosphere; Schlenk technique;

: 17084-13-8
potassium hexafluorophosphate

: 1112-67-0
tetrabutyl-ammonium chloride

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
In water for 24h;

: ammonium hexafluorophosphate

: 1643-19-2
tetrabutylammomium bromide

: 3109-63-5
tert-butylammonium hexafluorophosphate(V)

Conditions

Conditions	Yield
In water

Tetrabutylammonium hexafluorophosphate Chemical Properties

IUPAC Name: Tetrabutylazanium hexafluorophosphate
Molecular Weight 387.42792 [g/mol]
Molecular Formula C₁₆H₃₆F₆NP
Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
InChI: InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4; 1-7(2,3,4,5)6/h5-16H2,1-4H3; /q+1; -1
InChIKey: BKBKEFQIOUYLBC-UHFFFAOYSA-N
EINECS: 221-472-6
Product Categories: Ammonium Polyhalides, etc. (Quaternary); Quaternary Ammonium Compounds; Ammonium SaltsAnalytical Reagents; Electrochemistry; Greener Alternatives: Catalysis; Phase Transfer Catalysts; Supporting Electrolytes for Electrochemistry; Ammonium Salts
Boiling Point: 242-246 °C
solubility: acetonitrile: 0.1 g/mL, clear, colorless
Sensitive: Hygroscopic
Appearance: off-white powder
Melting Point: 244-246 °C(lit.)
Classification Code of Tetrabutylammonium hexafluorophosphate (CAS NO.3109-63-5): TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]

Tetrabutylammonium hexafluorophosphate Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 1759
WGK Germany: 3
Hazard Note; Irritant/Hygroscopic

Tetrabutylammonium hexafluorophosphate Specification

Tetrabutylammonium hexafluorophosphate (CAS NO.3109-63-5), its Synonyms are 1-Butanaminium, N,N,N-tributyl-, hexafluorophosphate(1-) ; 1-Butanaminium, N,N,N-tributyl-, hexafluorophosphate(1-) (1:1) .

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