1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol supplier

Name
PERFLUORO-TERT-BUTANOL
EINECS
CAS No. 2378-02-1
Article Data26
CAS DataBase
Density 1.67g/cm³
Solubility
Melting Point -17°C
Formula C4H F9 O
Boiling Point 45 °C(lit.)
Molecular Weight 236.037
Flash Point 5.1°C
Transport Information
Appearance clear colorless liquid
Safety Low toxicity by inhalation. When heated to decomposition it emits toxic vapors of F⁻.
Risk Codes 20-36/37/38-23
Molecular Structure
Hazard Symbols Xn,Xi,T
Synonyms 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol;2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethanol; 2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoro-2-propanol;Nonafluoro-tert-butanol; Nonafluoro-tert-butyl alcohol; Perfluoro tert-butylalcohol; Perfluoro(2-methyl-2-propanol); Perfluoro-tert-butanol;Perfluoro-tert-butyl alcohol; TBOL; Tris(trifluoromethyl)methanol
PSA 20.23000
LogP 2.40440

Synthetic route

: 7440-69-9
bismuth

: 27579-40-4
tris-(trifluoromethyl)methyl hypochlorite

A: 88392-03-4
Bi(3+)*3(CF3)3CO(1-) = Bi{(CF3)3CO}3

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
byproducts: (CF3)2CO, CF3Cl, Cl2; reaction mixt. maintained at 0°C for 40 h and at room temp. for 94 h and between 25 and 30°C for 6 h; addn. of additional (CF3)3COCl; volatiles removed at room temp. under vac.; elem. anal.;	A 93% B n/a

...Expand

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 684-16-2
Hexafluoroacetone

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With potassium fluoride In acetonitrile Mechanism; a) 9 h, -40 deg C, b) 3 h, 18 deg C; other carbonyl compounds, variation of conditions: xfluorinated tertiary alcohols and alkoxides from nucleophilic trifluoromethylation of carbonyl compounds;	91.3%
With potassium fluoride In acetonitrile 1) -40 deg C, 9 h, 2) 18 deg C, 3 h;	91.3%

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 407-25-0
trifluoroacetic anhydride

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With tetramethylammonium fluoride In 1,2-dimethoxyethane at -30 - 20℃;	87%

: 7594-49-2
1,1,1-trichloro-3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With antimony pentafluoride for 3h; Heating;	85%
With antimony pentafluoride

: 353-50-4
Carbonyl fluoride

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With potassium fluoride In acetonitrile for 18h; -40 deg C to r.t.;	77.1%

: 2809-92-9
nanofluoro-tert-butylamine

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With trifluoroacetic acid; sodium nitrite In water at 20℃; for 1h;	70%

: 75-38-7
Vinylidene fluoride

: 178984-96-8
C4BrF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 684-16-2
Hexafluoroacetone

C: 2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D: 2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions

Conditions	Yield
at -88 - 24℃; for 12h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C 31% D n/a
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 178984-96-8
C4BrF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 684-16-2
Hexafluoroacetone

C: 2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D: 2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions

Conditions	Yield
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: CH3C6H3CH2OS(OC(CF3)3)2

: 1493-13-6
trifluorormethanesulfonic acid

A: CH3C6H3CH2OSCO(CF3)3(1+)*CF3SO3(1-)

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

...Expand

: 71212-59-4
bis(nonafluoro-tert-butoxy)(pentafluorophenylsulfanyl)trifluorophenylsulfur(IV)

: 7732-18-5
water

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 1494-06-0
bis(pentafluorophenyl) disulfide

C: 63113-87-1
pentafluorophenyl pentafluorobenzenethiosulfonate

Conditions

Conditions	Yield
hydrolysis at 25°C;

...Expand

: 71192-83-1
bis(nonafluoro-tert-butoxy)(trifluoromethyl)trifluoromethylsulfanylsulfur(IV)

: 7732-18-5
water

A: 372-64-5
Bis(trifluoromethyl)disulfid

B: 358-15-6
Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester

C: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
hydrolysis at 25°C;

...Expand

: 2809-92-9
nanofluoro-tert-butylamine

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 354-93-8
1,1,1,3,3,3-hexafluoro-2-nitroso-2-trifluoromethyl-propane

Conditions

Conditions	Yield
With sodium nitrite In sulfuric acid At 0°C then at -10°C;
With NaNO2 In sulfuric acid aq. H2SO4; At 0°C then at -10°C;

: 52225-54-4
nonafluoro-tert-butyl trifluoromethanesulfinate

A: 353-50-4
Carbonyl fluoride

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

C: 7783-61-1
silicon tetrafluoride

Conditions

Conditions	Yield
byproducts: SO2; hydrolyzes in moist air at 25°C;

...Expand

: 88391-99-5
CrO2{(CF3)3CO}2

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 7738-94-5
chromic acid

Conditions

Conditions	Yield
With water detected by NMR;

: 1192744-27-6
C16H12F9NO4

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With NADPH:cytochrome P450 reductase; NADPH In water-d2; water; acetonitrile at 37℃; for 0.25h; pH=7.6; Kinetics; Concentration; Reagent/catalyst; aq. phosphate buffer; Inert atmosphere; Enzymatic reaction;

: C3H7NO*C4HF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C4H9NO

A: 127-19-5
N,N-dimethyl acetamide

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C2H6OS*C4HF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 67-68-5
dimethyl sulfoxide

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C6H15O4P

A: 78-40-0
triethyl phosphate

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C6H18N3OP

A: 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: 1086659-07-5
PhF-Al(OC(CF3)3)3

: 7732-18-5
water

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 1436826-20-8, 1436826-39-9
C12H2AlF27O4

C: C8HAlF18O3

Conditions

Conditions	Yield
In fluorobenzene Schlenk technique;

...Expand

: C15H9AlF28O3Si

: 75-65-0
tert-butyl alcohol

A: 420-56-4
trimethylsilyl fluoride

B: 107-46-0
Hexamethyldisiloxane

C: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

D: C15H10AlF27O4Si

Conditions

Conditions	Yield
In dichloromethane; dichloromethane-d2 at -30 - 20℃; Inert atmosphere; Schlenk technique; Glovebox;

...Expand

: 18173-64-3
tert-butyldimethylsilanol

: C15H9AlF28O3Si

A: 107-46-0
Hexamethyldisiloxane

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

C: 2357-76-8
tert-butyldimethylfluorosilane

D: C18H16AlF27O4Si

E: C15H10AlF27O4Si

Conditions

Conditions	Yield
In dichloromethane; dichloromethane-d2 at -78℃; Inert atmosphere; Schlenk technique; Glovebox;

...Expand

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 2203-56-7
nonafluoro-tert-butyl hypofluorite

Conditions

Conditions	Yield
With fluorine; cesium fluoride at -196 - 10℃; for 3 - 4h; Inert atmosphere;	100%
With cesium fluoride; fluorine at -78℃; for 0.333333h;	98%
Stage #1: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol With cesium fluoride at -196 - 20℃; Stage #2: With fluorine at -78℃; for 0.333333h;	97%
With fluorine
With fluorine; cesium fluoride at -78 - 20℃; under 225.023 Torr;

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: sodium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 0.5h;	100%
With sodium hydride In diethyl ether at 20℃; for 2h; Inert atmosphere; Glovebox;	84%
With sodium hydride In diethyl ether at 20℃; for 3h; Inert atmosphere; Glovebox; Cooling with ice;	80%
With sodium hydride In diethyl ether

: 16853-85-3
lithium aluminium tetrahydride

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 274933-96-9
Li[AlPFTB4]

Conditions

Conditions	Yield
In pentane at 20℃;	100%
In diethyl ether; toluene for 21h; Inert atmosphere; Reflux;

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 13100-46-4
1,2,3,4-tetra-O-acetyl-β-D-glucopyranose

: C18H19F9O10

Conditions

Conditions	Yield
Stage #1: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol; 1,2,3,4-tetra-O-acetyl-β-D-glucopyranose With triphenylphosphine In tetrahydrofuran at 20 - 75℃; for 0.0833333h; Inert atmosphere; Stage #2: With di-isopropyl azodicarboxylate In tetrahydrofuran at 75℃; for 3.3h; Inert atmosphere;	99.9%

: 380907-37-9
Re(C3(OH)(C6H5)2)(CO)2(CH3C(CH2P(C6H5)2)3)

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: Re(CCHC(OH)(C6H5)2)(CO)2(CH3C(CH2P(C6H5)2)3)(1+)

Conditions

Conditions	Yield
In dichloromethane-d2 under N2, in NMR tube; 10 equiv. of HOC(CF3)3 syringed into soln. of Re complex in CD2Cl2 cooled to -78°C (dry ice-acetone bath); not isolated; detd. by (31)P NMR spectroscopy;	99%

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 29646-16-0
potassium perfluoro-tert-butoxide

Conditions

Conditions	Yield
With potassium hydride In diethyl ether at -78 - 20℃; Inert atmosphere;	99%
With potassium hydroxide In ethanol at 0 - 20℃; for 0.5h; Glovebox;	93%
With potassium hydride In diethyl ether Inert atmosphere; Glovebox;
With potassium hydride In diethyl ether

: 7440-69-9
bismuth

: 27579-40-4
tris-(trifluoromethyl)methyl hypochlorite

A: 88392-03-4
Bi(3+)*3(CF3)3CO(1-) = Bi{(CF3)3CO}3

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
byproducts: (CF3)2CO, CF3Cl, Cl2; reaction mixt. maintained at 0°C for 40 h and at room temp. for 94 h and between 25 and 30°C for 6 h; addn. of additional (CF3)3COCl; volatiles removed at room temp. under vac.; elem. anal.;	A 93% B n/a

...Expand

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 684-16-2
Hexafluoroacetone

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With potassium fluoride In acetonitrile Mechanism; a) 9 h, -40 deg C, b) 3 h, 18 deg C; other carbonyl compounds, variation of conditions: xfluorinated tertiary alcohols and alkoxides from nucleophilic trifluoromethylation of carbonyl compounds;	91.3%
With potassium fluoride In acetonitrile 1) -40 deg C, 9 h, 2) 18 deg C, 3 h;	91.3%

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 407-25-0
trifluoroacetic anhydride

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With tetramethylammonium fluoride In 1,2-dimethoxyethane at -30 - 20℃;	87%

: 7594-49-2
1,1,1-trichloro-3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With antimony pentafluoride for 3h; Heating;	85%
With antimony pentafluoride

: 353-50-4
Carbonyl fluoride

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With potassium fluoride In acetonitrile for 18h; -40 deg C to r.t.;	77.1%

: 2809-92-9
nanofluoro-tert-butylamine

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With trifluoroacetic acid; sodium nitrite In water at 20℃; for 1h;	70%

: 75-38-7
Vinylidene fluoride

: 178984-96-8
C4BrF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 684-16-2
Hexafluoroacetone

C: 2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D: 2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions

Conditions	Yield
at -88 - 24℃; for 12h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C 31% D n/a
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 178984-96-8
C4BrF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 684-16-2
Hexafluoroacetone

C: 2-(2-Bromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

D: 2-(2,2-Dibromo-1,1-difluoro-ethoxy)-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

Conditions

Conditions	Yield
at -88 - 24℃; for 12h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: CH3C6H3CH2OS(OC(CF3)3)2

: 1493-13-6
trifluorormethanesulfonic acid

A: CH3C6H3CH2OSCO(CF3)3(1+)*CF3SO3(1-)

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

...Expand

: 71212-59-4
bis(nonafluoro-tert-butoxy)(pentafluorophenylsulfanyl)trifluorophenylsulfur(IV)

: 7732-18-5
water

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 1494-06-0
bis(pentafluorophenyl) disulfide

C: 63113-87-1
pentafluorophenyl pentafluorobenzenethiosulfonate

Conditions

Conditions	Yield
hydrolysis at 25°C;

...Expand

: 71192-83-1
bis(nonafluoro-tert-butoxy)(trifluoromethyl)trifluoromethylsulfanylsulfur(IV)

: 7732-18-5
water

A: 372-64-5
Bis(trifluoromethyl)disulfid

B: 358-15-6
Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester

C: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
hydrolysis at 25°C;

...Expand

: 2809-92-9
nanofluoro-tert-butylamine

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 354-93-8
1,1,1,3,3,3-hexafluoro-2-nitroso-2-trifluoromethyl-propane

Conditions

Conditions	Yield
With sodium nitrite In sulfuric acid At 0°C then at -10°C;
With NaNO2 In sulfuric acid aq. H2SO4; At 0°C then at -10°C;

: 52225-54-4
nonafluoro-tert-butyl trifluoromethanesulfinate

A: 353-50-4
Carbonyl fluoride

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

C: 7783-61-1
silicon tetrafluoride

Conditions

Conditions	Yield
byproducts: SO2; hydrolyzes in moist air at 25°C;

...Expand

: 88391-99-5
CrO2{(CF3)3CO}2

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 7738-94-5
chromic acid

Conditions

Conditions	Yield
With water detected by NMR;

: 1192744-27-6
C16H12F9NO4

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
With NADPH:cytochrome P450 reductase; NADPH In water-d2; water; acetonitrile at 37℃; for 0.25h; pH=7.6; Kinetics; Concentration; Reagent/catalyst; aq. phosphate buffer; Inert atmosphere; Enzymatic reaction;

: C3H7NO*C4HF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C4H9NO

A: 127-19-5
N,N-dimethyl acetamide

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C2H6OS*C4HF9O

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 67-68-5
dimethyl sulfoxide

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C6H15O4P

A: 78-40-0
triethyl phosphate

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: C4HF9O*C6H18N3OP

A: 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

Conditions

Conditions	Yield
In octanol at 24.84℃; Equilibrium constant;

: 1086659-07-5
PhF-Al(OC(CF3)3)3

: 7732-18-5
water

A: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

B: 1436826-20-8, 1436826-39-9
C12H2AlF27O4

C: C8HAlF18O3

Conditions

Conditions	Yield
In fluorobenzene Schlenk technique;

...Expand

: C15H9AlF28O3Si

: 75-65-0
tert-butyl alcohol

A: 420-56-4
trimethylsilyl fluoride

B: 107-46-0
Hexamethyldisiloxane

C: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

D: C15H10AlF27O4Si

Conditions

Conditions	Yield
In dichloromethane; dichloromethane-d2 at -30 - 20℃; Inert atmosphere; Schlenk technique; Glovebox;

...Expand

: 18173-64-3
tert-butyldimethylsilanol

: C15H9AlF28O3Si

A: 107-46-0
Hexamethyldisiloxane

B: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

C: 2357-76-8
tert-butyldimethylfluorosilane

D: C18H16AlF27O4Si

E: C15H10AlF27O4Si

Conditions

Conditions	Yield
In dichloromethane; dichloromethane-d2 at -78℃; Inert atmosphere; Schlenk technique; Glovebox;

...Expand

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 2203-56-7
nonafluoro-tert-butyl hypofluorite

Conditions

Conditions	Yield
With fluorine; cesium fluoride at -196 - 10℃; for 3 - 4h; Inert atmosphere;	100%
With cesium fluoride; fluorine at -78℃; for 0.333333h;	98%
Stage #1: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol With cesium fluoride at -196 - 20℃; Stage #2: With fluorine at -78℃; for 0.333333h;	97%
With fluorine
With fluorine; cesium fluoride at -78 - 20℃; under 225.023 Torr;

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: sodium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 0.5h;	100%
With sodium hydride In diethyl ether at 20℃; for 2h; Inert atmosphere; Glovebox;	84%
With sodium hydride In diethyl ether at 20℃; for 3h; Inert atmosphere; Glovebox; Cooling with ice;	80%
With sodium hydride In diethyl ether

: 16853-85-3
lithium aluminium tetrahydride

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 274933-96-9
Li[AlPFTB4]

Conditions

Conditions	Yield
In pentane at 20℃;	100%
In diethyl ether; toluene for 21h; Inert atmosphere; Reflux;

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 13100-46-4
1,2,3,4-tetra-O-acetyl-β-D-glucopyranose

: C18H19F9O10

Conditions

Conditions	Yield
Stage #1: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol; 1,2,3,4-tetra-O-acetyl-β-D-glucopyranose With triphenylphosphine In tetrahydrofuran at 20 - 75℃; for 0.0833333h; Inert atmosphere; Stage #2: With di-isopropyl azodicarboxylate In tetrahydrofuran at 75℃; for 3.3h; Inert atmosphere;	99.9%

: 380907-37-9
Re(C3(OH)(C6H5)2)(CO)2(CH3C(CH2P(C6H5)2)3)

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: Re(CCHC(OH)(C6H5)2)(CO)2(CH3C(CH2P(C6H5)2)3)(1+)

Conditions

Conditions	Yield
In dichloromethane-d2 under N2, in NMR tube; 10 equiv. of HOC(CF3)3 syringed into soln. of Re complex in CD2Cl2 cooled to -78°C (dry ice-acetone bath); not isolated; detd. by (31)P NMR spectroscopy;	99%

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: 29646-16-0
potassium perfluoro-tert-butoxide

Conditions

Conditions	Yield
With potassium hydride In diethyl ether at -78 - 20℃; Inert atmosphere;	99%
With potassium hydroxide In ethanol at 0 - 20℃; for 0.5h; Glovebox;	93%
With potassium hydride In diethyl ether Inert atmosphere; Glovebox;
With potassium hydride In diethyl ether

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: Nb(N-2,6-Me2C6H3)(CH2SiMe3)3

: Nb(N-2,6-Me2C6H3)(CH2SiMe3)2[OC(CF3)3]

Conditions

Conditions	Yield
In hexane at -30 - 20℃;	99%

: 2378-02-1
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

: Nb(N-2,6-iPr2C6H3)(CH2SiMe3)3

: Nb(N-2,6-iPr2C6H3)(CH2SiMe3)2[OC(CF3)3]

Conditions

Conditions	Yield
In hexane at -30 - 20℃;	99%

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Chemical Properties

IUPAC Name: 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-ol
The MF of Perfluoro-tert-butanol (CAS NO.2378-02-1) is C₄HF₉O.

The MW of Perfluoro-tert-butanol (CAS NO.2378-02-1) is 236.04.
Synonyms of Perfluoro-tert-butanol (CAS NO.2378-02-1): 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)- ; Nonafluoro-tert-butanol ; Perfluoro-tert-butanol
Apperance: clear colorless liquid
Index of Refraction: 1.263
EINECS: 219-157-3
Density: 1.67 g/ml
Flash Point: 5.1 °C
Boiling Point: 84.7 °C
Melting Point: -17 °C
Storage temp: Keep Cold
BRN: 1841640

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Uses

Perfluoro-tert-butanol (CAS NO.2378-02-1) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	10230mg/m3/2H (10230mg/m3)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 521, 1986.

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Safety Profile

Low toxicity by inhalation. When heated to decomposition it emits toxic vapors of F⁻.Safety information of Perfluoro-tert-butanol (CAS NO.2378-02-1):
Hazard Codes Harmful Xn,Xi, Toxic T
Risk Statements
20 Harmful by inhalation
36/37/38 Irritating to eyes, respiratory system and skin
23 Toxic by inhalation
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37 Wear suitable protective clothing and gloves
RIDADR UN 2810 6.1/PG 2
WGK Germany 3
RTECS UB6452700
Hazard Note Toxic

Product Name

PERFLUORO-TERT-BUTANOL

Synthetic route

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Chemical Properties

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Uses

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Toxicity Data With Reference

1,1,1,3,3,3-Hexafluoro-2-(trifluoro-methyl)-2-propanol Safety Profile

Related Products

Hot Products