Undecafluorohexanoic acid supplier

Name
PERFLUOROHEXANOIC ACID
EINECS 206-196-6
CAS No. 307-24-4
Article Data25
CAS DataBase
Density 1.722 g/cm³
Solubility
Melting Point 14 °C
Formula C₆HF₁₁O₂
Boiling Point 143 °C at 760 mmHg
Molecular Weight 314.055
Flash Point 40.3 °C
Transport Information UN 3265 8/PG 2
Appearance colourless liquid
Safety 26-36/37/39-45
Risk Codes 34-37
Molecular Structure
Hazard Symbols C; T
Synonyms Hexanoicacid, undecafluoro- (6CI,7CI,8CI,9CI);NSC 5213;Perfluoro-1-pentanecarboxylicacid;Perfluorohexanoic acid;Undecafluorocaproic acid;Undecafluorohexanoicacid;
PSA 37.30000
LogP 3.17450

Synthetic route

: 355-43-1
n-perfluorohexyl iodide

A: 307-24-4
undecafluorohexanoic acid

B: perfluorohexyl sulfinic acid

Conditions

Conditions	Yield
With sulfur dioxide In water; N,N-dimethyl-formamide at 20℃; Product distribution; effect of water content of the solvent, role of allyl alcohol, Faradic yield;	A 3% B 95%

: 2923-26-4
sodium undecafluorohexanoate

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With sulfuric acid at 120℃;	94%

: 65500-50-7
perfluoro-2-octene

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium; dihydrogen peroxide	92%
With bis(acetylacetonate)oxovanadium; dihydrogen peroxide Product distribution; various reaction conditions;	92%

: 355-43-1
n-perfluorohexyl iodide

: 106-95-6
allyl bromide

A: 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

B: 307-24-4
undecafluorohexanoic acid

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

Conditions

Conditions	Yield
With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution;	A n/a B n/a C 88%

...Expand

: 355-43-1
n-perfluorohexyl iodide

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; lipoxygenase; oct-2-yne at 25 - 30℃;	84%
With ammonium peroxydisulfate; sodium formate In N,N-dimethyl-formamide at 55℃; for 12h;	83.9%
Multi-step reaction with 2 steps 1: 79 percent / sodium formaldehyde sulfoxylate, NaHCO3 / dimethylformamide; H2O / 17 h / 80 - 85 °C 2: 94 percent / concentrated sulfuric acid / 120 °C View Scheme

: 31143-13-2
(E)-perfluorooct-2-ene

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With hydrogen; oxygen; lead(II) oxide; ozone; calcium carbonate; palladium In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) 5 deg C to 10 deg C, 2 h, 2.) 20 deg C;	80%

: 556-56-9
allyl iodid

: 355-43-1
n-perfluorohexyl iodide

A: 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

B: 307-24-4
undecafluorohexanoic acid

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

Conditions

Conditions	Yield
With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution;	A n/a B n/a C 77%

...Expand

: 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With 2,2'-azobis(2-methylpropionamidine) dihydrochloride; water at 55℃; for 6.5h;	75%

: 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate

: 762-72-1
allyl-trimethyl-silane

A: 307-24-4
undecafluorohexanoic acid

B: 132673-95-1
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-(trimethylsilyl)nonane

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 13% B 74%

...Expand

: 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate

: 106-95-6
allyl bromide

A: 307-24-4
undecafluorohexanoic acid

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

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 12% B 67%

...Expand

: 673-32-5
1-Phenylprop-1-yne

: 355-43-1
n-perfluorohexyl iodide

A: 307-24-4
undecafluorohexanoic acid

B: 113999-57-8
1-phenyl-2-(perfluorohexyl)propene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 504h;	A 66% B 28%

...Expand

: 355-43-1
n-perfluorohexyl iodide

: 536-74-3
phenylacetylene

A: 307-24-4
undecafluorohexanoic acid

B: 55009-92-2, 113999-56-7
(E)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octen-1-yl)benzene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; urease at 25 - 30℃; for 264h;	A 2% B 66%

...Expand

: 591-87-7
Allyl acetate

: 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate

A: 307-24-4
undecafluorohexanoic acid

B: 83311-03-9
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl acetate

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 24% B 63%

...Expand

: 629-05-0
n-octyne

: 355-43-1
n-perfluorohexyl iodide

A: 307-24-4
undecafluorohexanoic acid

B: 113999-58-9
(E)-1-(perfluorohexyl)-1-octene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 312h;	A 14% B 61%

...Expand

: 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate

: 106-96-7
propargyl bromide

A: 307-24-4
undecafluorohexanoic acid

B: 130716-18-6
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1,2-nonadiene

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 17% B 54%

...Expand

: 2809-67-8
oct-2-yne

: 355-43-1
n-perfluorohexyl iodide

A: 307-24-4
undecafluorohexanoic acid

B: 113999-59-0
2-(perfluorohexyl)-2-octene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; urease at 25 - 30℃; for 720h;	A 53% B 18%

...Expand

: 764-93-2
1-decyne

: 355-43-1
n-perfluorohexyl iodide

A: 307-24-4
undecafluorohexanoic acid

B: 120464-27-9
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-hexadecene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; urease at 25 - 30℃;	A 39% B 42%

...Expand

: 2051-49-2
n-hexanoic anhydride

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
With hydrogen fluoride anschliessend Behandeln mit Wasser;

: 335-53-5
undecafluorohexanoyl chloride

: 506-64-9
silver(I) cyanide

A: 307-24-4
undecafluorohexanoic acid

B: 595-06-2
hydroxy-undecafluoropentyl-malonic acid diamide

Conditions

Conditions	Yield
Behandeln des als ein Dimeres des Undecafluor-2-oxo-hexannitrils angesehenen Reaktionsprodukts mit konz.wss.Salzsaeure;

...Expand

: 142-62-1
hexanoic acid

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
anodische Fluorierung;

: 67097-65-8
perfluorohexyl fluorosulfate

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
(hydrolysis);

: (E)-1,1,1,2,2,3,3,4,5,6,6,7,7,8,8,9,9,9-Octadecafluoro-non-4-ene

A: 375-22-4
heptafluorobutyric Acid

B: 422-64-0
pentafluoropropionic acid

C: 2706-90-3
Perfluoropentanoic acid

D: 307-24-4
undecafluorohexanoic acid

E: 375-85-9
perfluoroheptanoic acid

F: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With ruthenium(IV) oxide; sodium hypochlorite; ruthenium tetroxide In 1,1,2-Trichloro-1,2,2-trifluoroethane for 1h; Product distribution; other times, other reagents, other times, further products;

...Expand

: 53826-12-3
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid

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

A: 307-24-4
undecafluorohexanoic acid

B: 45084-94-4
2-Dimethylamino-methylen-1,3-bis-dimethyl-immonio-propan

C: 38571-88-9, 52950-91-1, 80077-94-7
Dimethyl-<3-dimethylamino-prop-2t-en-yliden>ammonium

Conditions

Conditions	Yield
With trichlorophosphate at 60 - 85℃; Vilsmeier reaction;

...Expand

: 335-67-1
Perfluorooctanoic acid

A: 375-22-4
heptafluorobutyric Acid

B: 2706-90-3
Perfluoropentanoic acid

C: 307-24-4
undecafluorohexanoic acid

D: 375-85-9
perfluoroheptanoic acid

Conditions

Conditions	Yield
With sodium sulfate; Ni-Cu photocatalyst; titanium(IV) oxide In water for 2h; Kinetics; UV-irradiation; Electrochemical reaction;
With sulfuric acid; LaNi0.8Sr0.2O3; iron(II) sulfate; sodium sulfate In water for 2.5h; pH=5; Catalytic behavior; Kinetics; Mechanism; Reagent/catalyst; pH-value; Electrolysis;

...Expand

: 335-56-8
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 percent / sodium formaldehyde sulfoxylate, NaHCO3 / dimethylformamide; H2O / 20 h / 80 - 85 °C 2: 94 percent / concentrated sulfuric acid / 120 °C View Scheme

: 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KSO3F / fluorosulfonic acid / (electrolysis) 2: (hydrolysis) View Scheme

: perfluorohexanoyl cyanide dimer

: 307-24-4
undecafluorohexanoic acid

Conditions

Conditions	Yield
hydrolysis;

: 375-85-9
perfluoroheptanoic acid

A: 307-24-4
undecafluorohexanoic acid

B: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; water at 60℃; under 4875.49 Torr; for 3h; Kinetics; Temperature; Reagent/catalyst;

: 335-67-1
Perfluorooctanoic acid

A: 307-24-4
undecafluorohexanoic acid

B: 375-85-9
perfluoroheptanoic acid

Conditions

Conditions	Yield
for 4h; Electrolysis;

: 335-67-1
Perfluorooctanoic acid

A: 375-61-1
1H-perfluoropentane

B: 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

C: 2706-90-3
Perfluoropentanoic acid

D: 375-83-7
perfluoro-1H-heptane

E: 307-24-4
undecafluorohexanoic acid

F: 375-85-9
perfluoroheptanoic acid

Conditions

Conditions	Yield
With water at 23 - 51℃; for 0.025h; Microwave irradiation; Sonication;

...Expand

: 307-24-4
undecafluorohexanoic acid

: 111-40-0
1,5-diamino-3-azapentane

: N-aminoethyl(perfluoropentyl)formylamine

Conditions

Conditions	Yield
at 30 - 132℃; for 0.5h;	96.7%

: 307-24-4
undecafluorohexanoic acid

: 67-63-0
isopropyl alcohol

: isopropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate

Conditions

Conditions	Yield
for 3h; Reflux;	90%

: 307-24-4
undecafluorohexanoic acid

: 355-41-9
perfluoro-n-hexyl chloride

Conditions

Conditions	Yield
With trichlorophosphate at 5 - 110℃;	90%

: 307-24-4
undecafluorohexanoic acid

: 5001-18-3
1,3-adamantandiol

: 1005454-12-5
3-hydroxy-1-adamantyl perfluorohexanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 4h; Heating / reflux;	88%

: 307-24-4
undecafluorohexanoic acid

: 75-16-1
methylmagnesium bromide

: 2708-07-8
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-one

Conditions

Conditions	Yield
Stage #1: undecafluorohexanoic acid; methylmagnesium bromide In diethyl ether at -8 - 20℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In water	64%

: 307-24-4
undecafluorohexanoic acid

: 3375-31-3
palladium diacetate

: palladium perfluorohexanoate

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 60℃; for 24h; Inert atmosphere;	61%

: 75-91-2
tert.-butylhydroperoxide

: 307-24-4
undecafluorohexanoic acid

: 3375-31-3
palladium diacetate

: palladium (II) tert-butyl peroxide perfluorohexanoate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: C5F11CO2H; mixed with stirring at room temp.; filtered, washed (n-pentane), dried (vac.), elem. anal.;	60%

...Expand

: palladium (II) nitrate

: 307-24-4
undecafluorohexanoic acid

: palladium perfluorohexanoate

Conditions

Conditions	Yield
at 80℃; for 12h; Inert atmosphere;	57%

: 861675-46-9
3-methanesulfonyloxy-1-adamantyl methacrylate

: 307-24-4
undecafluorohexanoic acid

: 1005454-11-4
3-[(perfluoropentyl)carbonyloxy]-1-adamantyl methacrylate

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; 4-methoxy-phenol In 4-butanolide at 120℃; for 6h; Product distribution / selectivity;	51.5%

: 66-71-7
1,10-Phenanthroline

: 307-24-4
undecafluorohexanoic acid

: 35342-67-7, 35342-68-8
copper (I) tert-butoxide

: [(1,10-phenanthroline)2Cu][n-C5F11CO2]

Conditions

Conditions	Yield
Stage #1: 1,10-Phenanthroline; copper (I) tert-butoxide In tetrahydrofuran at 20℃; for 0.0833333h; Stage #2: undecafluorohexanoic acid In tetrahydrofuran at 20℃; for 0.333333h;	51%

...Expand

: 307-24-4
undecafluorohexanoic acid

: palladium dichloride

: palladium perfluorohexanoate

Conditions

Conditions	Yield
at 100℃; for 2h; Inert atmosphere;	46%

: 307-24-4
undecafluorohexanoic acid

: palladium(II) hydroxide

: palladium perfluorohexanoate

Conditions

Conditions	Yield
at 80℃; for 12h; Inert atmosphere;	42%

Undecafluorohexanoic acid Specification

The Undecafluorohexanoic acid, with the CAS registry number 307-24-4 and EINECS registry number 206-196-6, has the systematic name of undecafluorohexanoic acid. It is a kind of colourless liquid which is incompatible with oxidizing agents. And the molecular formula of the chemical is C₆HF₁₁O₂.

The characteristics of Undecafluorohexanoic acid are as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 7.71; (8)ACD/KOC (pH 7.4): 7.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.289; (14)Molar Refractivity: 33.04 cm³; (15)Molar Volume: 182.3 cm³; (16)Polarizability: 13.09×10^-24cm³; (17)Surface Tension: 17.4 dyne/cm; (18)Density: 1.722 g/cm³; (19)Flash Point: 40.3 °C; (20)Enthalpy of Vaporization: 41.93 kJ/mol; (21)Boiling Point: 143 °C at 760 mmHg; (22)Vapour Pressure: 3.09 mmHg at 25°C.

Preparation of Undecafluorohexanoic acid: This chemical can be prepared by hexadecafluoro-oct-2-ene. And the yield is about 92%.

You should be cautious while dealing with this chemical. It irritates to respiratory system, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
(3)InChIKey: PXUULQAPEKKVAH-UHFFFAOYAH

Product Name

PERFLUOROHEXANOIC ACID

Synthetic route

Undecafluorohexanoic acid Specification

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