1H,1H,2H,2H-Perfluorohexan-1-ol supplier

Name
1H,1H,2H,2H-Perfluorohexan-1-ol
EINECS 218-050-9
CAS No. 2043-47-2
Article Data11
CAS DataBase
Density 1.59
Solubility
Melting Point
Formula C6H5 F9 O
Boiling Point 140-143 ºC
Molecular Weight 264.091
Flash Point 164 ºF
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1,2,2-Tetrahydroperfluorohexan-1-ol;1,1,2,2-Tetrahydroperfluorohexyl alcohol; 1H,1H,2H,2H-Nonafluoro-1-hexanol;1H,1H,2H,2H-Nonafluoro-n-hexanol; 1H,1H,2H,2H-Nonafluorohexanol;1H,1H,2H,2H-Perfluorohexan-1-ol; 1H,1H,2H,2H-Perfluorohexanol;2-(Perfluorobutyl)ethanol; 2-(Perfluorobutyl)ethyl alcohol;3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol; 3,3,4,4,5,5,6,6,6-Nonafluorohexanol; A1420
PSA 20.23000
LogP 2.83700

Synthetic route

: 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; formic acid; oxygen; copper; zinc In water at 80℃; for 2h; Product distribution; various solvents, water concentration;	100%
With water In N,N-dimethyl-formamide at 125 - 130℃; under 9000.9 Torr; for 30h; Pressure; Solvent; Green chemistry;	85%
Yield given. Multistep reaction;
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water; dimethyl sulfoxide at 140℃; under 7125.71 Torr; for 10h; Concentration; Solvent; Temperature;

: 1048684-09-8
potassium 6,6,6,5,5,4,4,3,3-nonafluorohexyl sulfate

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; water at 70℃; for 25h; pH=0 - 1;	87%

: 19430-93-4
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

A: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

B: 116741-81-2
3,3,4,4,5,5,6,6,6-Nonafluoro-2-hexanol

Conditions

Conditions	Yield
Stage #1: 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene With bis(cyclohexanyl)borane In tetrahydrofuran at 20℃; for 16h; Stage #2: With dihydrogen peroxide In tetrahydrofuran alkaline solution; Further stages.;

: 80793-18-6
3-(perfluorohexyl)prop-1-ene

A: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

B: 80363-03-7
3-(F-hexyl)propan-2-ol

Conditions

Conditions	Yield
Stage #1: 3-(perfluorohexyl)prop-1-ene With dichloroborane In hexane Stage #2: With dihydrogen peroxide In hexane alkaline solution; Further stages.;

: 19430-93-4
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

A: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

B: (S)-3,3,4,4,5,5,6,6,6-Nonafluoro-hexan-2-ol

C: (R)-3,3,4,4,5,5,6,6,6-Nonafluoro-hexan-2-ol

Conditions

Conditions	Yield
Stage #1: 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene With benzo[1,3,2]dioxaborole; (η4-cyclooctadiene)((R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl)rhodium(I) tetrfluoroborate In tetrahydrofuran at 0℃; for 1h; Stage #2: With sodium hydroxide; dihydrogen peroxide In ethanol Further stages. Title compound not separated from byproducts.;

...Expand

: 19430-93-4
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

A: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

B: 116741-81-2
3,3,4,4,5,5,6,6,6-Nonafluoro-2-hexanol

Conditions

Conditions	Yield
Stage #1: 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; Wilkinson's catalyst In tetrahydrofuran at 20℃; for 2.5h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran Further stages. Title compound not separated from byproducts.;

...Expand

: 19430-93-4
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

: 274-07-7
benzo[1,3,2]dioxaborole

A: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

B: 116741-81-2
3,3,4,4,5,5,6,6,6-Nonafluoro-2-hexanol

Conditions

Conditions	Yield
Stage #1: 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene; benzo[1,3,2]dioxaborole; Wilkinson's catalyst In tetrahydrofuran at 20℃; for 1h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran Further stages. Title compound not separated from byproducts.;

...Expand

: 1-iodo-1H,1H,2H,2H-perfluorohexadecane

: 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 2043-53-0
2-(n-perfluorooctyl)ethyl iodide

: 2043-54-1
1-iodo-1H,1H,2H,2H-perfluorododecane

: 30046-31-2
1-iodo-1H,1H,2H,2H-perfluorotetradecane

A: 60699-51-6
1H,1H,2H,2H-perfluorohexadecan-1-ol

B: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

C: 865-86-1
2-(perfluorodecyl)ethanol

D: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

E: 39239-77-5
1H,1H,2H,2H-perfluorobutadecan-1-ol

F: 678-39-7
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol

Conditions

Conditions	Yield
With water; silver nitrate; copper(II) sulfate at 180℃; Conversion of starting material; Gas phase;

...Expand

: 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

: 10192-85-5
potassium acrylate

A: 52591-27-2
perfluorobutylethyl acrylate

B: 19430-93-4
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

C: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

Conditions

Conditions	Yield
With 10H-phenothiazine In tert-butyl alcohol at 160℃; for 6h;

...Expand

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 70887-89-7
3,3,4,4,5,5,6,6,6-nonafluorohexanoic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid In diethyl ether; acetone for 0.0833333h;	98%
With chromium(VI) oxide; sulfuric acid In diethyl ether; water; acetone for 0.5h; Jones oxidation;	81%
With Jones reagent In diethyl ether; acetone

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: O,O-bis(1H,1H,2H,2H-nonafluoro-n-hexyl)dithiophosphoric acid

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In toluene Heating;	98%

: 74-96-4
ethyl bromide

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1240205-57-5
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxanonane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	95%

: 619-42-1
4-methoxycarbonylphenyl bromide

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: methyl 4-((3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy)benzoate

Conditions

Conditions	Yield
With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 80℃; for 12h; Inert atmosphere; Sealed tube; UV-irradiation;	95%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 98-59-9
p-toluenesulfonyl chloride

: 188492-56-0
toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0℃; for 3h; Inert atmosphere;	94%
With dmap; triethylamine

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 79-10-7
acrylic acid

: 52591-27-2
perfluorobutylethyl acrylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; hydroquinone at 80℃; for 5.5h; Reagent/catalyst; Green chemistry;	92.2%
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol; acrylic acid With sodium carbonate; triethylamine; benzenesulfonyl chloride; Sumilizer GM In dichloromethane at 30 - 40℃; for 2h; Stage #2: With water In dichloromethane for 1h; Stage #3: acrylic acid With water; triethylamine; benzenesulfonyl chloride Product distribution / selectivity; more than 3 stages;	84%
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol; acrylic acid With triethylamine; benzenesulfonyl chloride; Sumilizer GM In dichloromethane at 20 - 40℃; for 3h; Stage #2: With water In dichloromethane for 0.5h; Product distribution / selectivity;	76%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 111153-16-3
4'-(Benzyloxy)-biphenyl-4-carboxylic acid

: 4'-benzyloxy-biphenyl-4-carboxylic acid 3,3,4,4,5,5,6,6,6-nonafluoro-hexyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	92%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 171182-86-8
1H,1H,2H,2H-perfluorohexyl trifluoromethanesulfonate

Conditions

Conditions	Yield
With trifluoromethylsulfonic anhydride; triethylamine In dichloromethane at 5℃; for 24h;	91.8%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: Nα-(tert-butyloxycarbonyl)-(R)-lysine tert-butyl ester

: C22H33F9N2O6

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With pyridine; di(succinimido) carbonate In N,N-dimethyl-formamide at 40℃; for 15h; Stage #2: Nα-(tert-butyloxycarbonyl)-(R)-lysine tert-butyl ester In N,N-dimethyl-formamide at 20 - 30℃;	91%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

A: 1370345-78-0
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-difluoro-3-hydroxy-4-methylpentanoate

B: 1370345-79-1
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-difluoro-3-methacryloyloxy-4-methylpentanoate

Conditions

Conditions	Yield
	A 87% B n/a
	A 87% B n/a

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 106-94-5
propyl bromide

: 1193009-98-1
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxadecane

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydroxide In tetrahydrofuran; cyclohexane; water at 25℃; for 2h; Stage #2: propyl bromide; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; cyclohexane; water at 40 - 70℃; for 48h;	86%
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	84%

: 108-31-6
maleic anhydride

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: bis(1H,1H,2H,2H-nonafluorohexyl)maleate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 140℃; for 8h;	85%
With toluene-4-sulfonic acid In toluene at 20℃; Reflux;	80%
With toluene-4-sulfonic acid In toluene at 20℃; Reflux;	80%
With toluene-4-sulfonic acid In toluene at 110℃; for 15h;	61.5%

: 110-53-2
1-Bromopentane

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1193009-96-9
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxadodecane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	83%
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydroxide In tetrahydrofuran; cyclohexane; water at 25℃; for 2h; Stage #2: 1-Bromopentane; N-benzyl-N,N,N-triethylammonium chloride In tetrahydrofuran; cyclohexane; water at 40 - 70℃; for 48h;	79%

: 760-93-0
methacryloyl anhydride

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1799-84-4
3,3,4,4,5,5,6,6,6,-nonafluorohexyl methacrylate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane; 1,1,2-Trichloro-1,2,2-trifluoroethane at 30℃; for 18h;	80%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 99-91-2
para-chloroacetophenone

: 1-(4-((3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy)phenyl)ethan-1-one

Conditions

Conditions	Yield
With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 80℃; for 12h; Inert atmosphere; Sealed tube; UV-irradiation;	78%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 106-95-6
allyl bromide

: 188298-09-1
6-(allyloxy)-1,1,1,2,2,3,3,4,4-nonafluorohexane

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate at 65℃; for 16h;	76%
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide for 0.333333h; Stage #2: allyl bromide at 65℃; for 14h;	76%
With sodium hydroxide; tetrabutylammomium bromide In tetrahydrofuran for 5h; Heating / reflux;

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 106-96-7
propargyl bromide

: perfluorobutylethyl propargyl ether

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 50℃; for 24h;	74%
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydroxide In N,N-dimethyl-formamide at -15℃; for 0.166667h; Stage #2: propargyl bromide In N,N-dimethyl-formamide at -15 - 20℃; for 24h;	71%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: C12H9F18O3P

Conditions

Conditions	Yield
With tert-butyl alcohol; phosphorus trichloride In dichloromethane for 15h;	73%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 103-72-0
phenyl isothiocyanate

: O-[2-perfluorobutylethyl] N-phenylthiocarbamate

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydride In tetrahydrofuran at 0℃; for 0.583333h; Inert atmosphere; Stage #2: phenyl isothiocyanate In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;	73%

: 112-71-0
1-Bromotetradecane

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1240205-64-4
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxaheneicosane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	71%

: 111-83-1
1-bromo-octane

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1240205-63-3
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxapentadecane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	70%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 622-78-6
Benzyl isothiocyanate

: O-[2-perfluorobutyl] N-benzylthiocarbamate

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydride In tetrahydrofuran at 0℃; for 0.583333h; Inert atmosphere; Stage #2: Benzyl isothiocyanate In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;	70%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 598-21-0
2-Bromoacetyl bromide

: 132711-97-8
2-Perfluorobutylethyl-α-bromoacetate

Conditions

Conditions	Yield
In diethyl ether at 60℃; for 12h;	69%

: 4276-50-0
Heneicosyl bromide

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 1240205-71-3
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxaoctacosane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	69%

: 542-85-8
Ethyl isothiocyanate

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: O-[2-perfluorobutylethyl] N-ethylthiocarbamate

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-nonafluoro-1-hexanol With sodium hydride In tetrahydrofuran at 0℃; for 0.583333h; Inert atmosphere; Stage #2: Ethyl isothiocyanate In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;	66%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 141478-84-4
2-(2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-hexanoyl)-cyclopentanone

: 141478-94-6
7,7,8,8,9,9,10,10,11,11,11-Undecafluoro-6-oxo-undecanoic acid 3,3,4,4,5,5,6,6,6-nonafluoro-hexyl ester

Conditions

Conditions	Yield
at 70℃; for 120h;	65%

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 112-89-0
1-Bromooctadecane

: 1240205-69-9
1,1,1,2,2,3,3,4,4-nonafluoro-7-oxapentacosane,

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	65%

: 600-22-6
pyruvic acid methyl ester

: 2043-47-2
1H,1H,2H,2H-nonafluoro-1-hexanol

: 3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-bis((3,3,4,4,5,5,6,6,6- nonafluorohexyl)oxy)propanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 48h; Reflux; Dean-Stark;	65%

1H,1H,2H,2H-Perfluorohexan-1-ol Chemical Properties

Molecular Structure of 1H,1H,2H,2H-Perfluorohexan-1-ol (CAS NO.2043-47-2):

IUPAC Name: 3,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol
Molecular Formula: C₆H₅F₉O
Molecular Weight: 264.09
EINECS: 218-050-9
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 10
Index of Refraction: 1.301
Molar Refractivity: 32.71 cm³
Molar Volume: 174.3 cm³
Surface Tension: 16.9 dyne/cm
Density: 1.515 g/cm³
Flash Point: 20.1 °C
Enthalpy of Vaporization: 40.61 kJ/mol
Boiling Point: 109.7 °C at 760 mmHg
Vapour Pressure: 12.9 mmHg at 25 °C
Canonical SMILES: C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey: JCMNMOBHVPONLD-UHFFFAOYSA-N
Product Categories: Organics; Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry

1H,1H,2H,2H-Perfluorohexan-1-ol Safety Profile

Safety Information of 1H,1H,2H,2H-Perfluorohexan-1-ol (CAS NO.2043-47-2):
Hazard Codes: Xi
WGK Germany: 3
Hazard Note: Irritant

1H,1H,2H,2H-Perfluorohexan-1-ol Specification

1H,1H,2H,2H-Perfluorohexan-1-ol (CAS NO.2043-47-2), its Synonyms are 1,1,2,2-Tetrahydroperfluoro-1-hexanol ; 1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro- ; 3,3,4,4,5,5,6,6,6-Nonafluorohexanol ; 1,1,2,2-Tetrahydroperfluorohexyl alcohol ; 3,3,4,4,5,5,6,6,6-Nonafluorohexanol ; 2-(Perfluorobutyl)ethyl alcohol .

Product Name

1H,1H,2H,2H-Perfluorohexan-1-ol

Synthetic route

1H,1H,2H,2H-Perfluorohexan-1-ol Chemical Properties

1H,1H,2H,2H-Perfluorohexan-1-ol Safety Profile

1H,1H,2H,2H-Perfluorohexan-1-ol Specification

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