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2043-47-2

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Basic Information
CAS No.: 2043-47-2
Name: 1H,1H,2H,2H-Perfluorohexan-1-ol
Article Data: 11
Molecular Structure:
Molecular Structure of 2043-47-2 (1H,1H,2H,2H-Perfluorohexan-1-ol)
Formula: C6H5 F9 O
Molecular Weight: 264.091
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
EINECS: 218-050-9
Density: 1.59
Boiling Point: 140-143 ºC
Flash Point: 164 ºF
Hazard Symbols:
Safety: 24/25
PSA: 20.23000
LogP: 2.83700
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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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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Chemistry

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

Safety Profile

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

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 .