Heptafluorobutyric acid supplier

Name
Heptafluorobutyric acid
EINECS 206-786-3
CAS No. 375-22-4
Article Data64
CAS DataBase
Density 1.679 g/cm³
Solubility miscible
Melting Point -17.5 °C
Formula C₄HF₇O₂
Boiling Point 120.2 °C at 760 mmHg
Molecular Weight 214.04
Flash Point 18 °C
Transport Information UN 3265 8/PG 2
Appearance Clear colorless to faintly yellow liquid
Safety 26-36/37/39-45
Risk Codes 35
Molecular Structure
Hazard Symbols C
Synonyms Butanoicacid, heptafluoro- (9CI);Butyric acid, heptafluoro- (6CI,8CI);Heptafluorobutanoic acid;Perfluorobutanoic acid;Perfluorobutyric acid;Perfluoropropanecarboxylic acid;
PSA 37.30000
LogP 1.90390

Synthetic route

: 14154-45-1
6,6,6-Trichlor-perfluor-capronsaeure-chlorid-(1,1-dichlor-heptafluor-butylimid)

: 7732-18-5
water

A: 375-22-4
heptafluorobutyric Acid

B: 6,6,6-Trichloro-2,2,3,3,4,4,5,5-octafluoro-hexanoic acid

Conditions

Conditions	Yield
With H2SO4 concd. H2SO4;	A n/a B 95%

...Expand

: 2218-54-4
sodium heptafluorobutyrate

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
With sulfuric acid at 120℃;	92%

: 868-85-9
Dimethyl phosphite

: 336-59-4
heptafluorobutyric anhydride

A: 375-22-4
heptafluorobutyric Acid

B: [1-(Dimethoxy-phosphoryloxy)-3,3,4,4,5,5,5-heptafluoro-1-heptafluoropropyl-2-oxo-pentyl]-phosphonic acid dimethyl ester

Conditions

Conditions	Yield
Ambient temperature;	A n/a B 85%

...Expand

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; lipoxygenase; oct-2-yne at 25 - 30℃;	83%
With oxygen In N,N-dimethyl-formamide Kinetics; Mechanism; galvanostatic electrolysis; also with perfluoro-octyliodide;
With oxygen In N,N-dimethyl-formamide Rate constant; Mechanism; electrolysis at a carbon cathode;

: 1606143-50-3
nonafluoro-n-butanesulfenic acid

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
In water; toluene at 20℃; for 2h;	75%
With water In toluene at 20℃; for 2h;	75%

: 102061-82-5
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate

: 106-95-6
allyl bromide

A: 375-22-4
heptafluorobutyric Acid

B: 129846-67-9
4,4,5,5,6,6,7,7,7-nonafluoro-1-heptene

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 10% B 72%

...Expand

: 762-04-9
phosphonic acid diethyl ester

: 336-59-4
heptafluorobutyric anhydride

A: 375-22-4
heptafluorobutyric Acid

B: 1-(diethoxyphosphinyl)heptafluoro-1-(heptafluorobutyryl)butyl diethyl phosphate

Conditions

Conditions	Yield
Ambient temperature;	A n/a B 70%

...Expand

: 52-68-6
trichlorfon

: 336-59-4
heptafluorobutyric anhydride

A: 375-22-4
heptafluorobutyric Acid

B: 169469-22-1
C8H7Cl3F7O5P

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 40℃; for 2h;	A n/a B 68%

...Expand

: 2809-67-8
oct-2-yne

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

A: 375-22-4
heptafluorobutyric Acid

B: 113999-55-6
2-(perfluorobutyl)-2-octene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 720h;	A 67% B 10%

...Expand

: 124-38-9
carbon dioxide

: 423-25-6
(heptafluoro n-propyl) magnesiumiodide

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
In diethyl ether introduction of CO2 during formation of the grignard compound at -20°C;;	65%
In diethyl ether introduction of CO2 during formation of the grignard compound at -20°C;;	65%
In diethyl ether introduction of CO2 after formation of the grignard compound at -20°C;;	59%

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 104-94-9
4-methoxy-aniline

A: 375-22-4
heptafluorobutyric Acid

B: 153910-98-6
1-methoxy-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene

Conditions

Conditions	Yield
Stage #1: 4-methoxy-aniline With tert.-butylnitrite; sulfuric acid; water In acetonitrile for 0.25h; Cooling with ice; Schlenk technique; Stage #2: 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane With copper; hydroquinone In acetonitrile at 20℃; for 0.5h; Inert atmosphere; Schlenk technique;	A 27% B 65%

...Expand

: 1809-21-8
di-n-propyl phosphonate

: 336-59-4
heptafluorobutyric anhydride

A: 375-22-4
heptafluorobutyric Acid

B: [1-(Dipropoxy-phosphoryloxy)-3,3,4,4,5,5,5-heptafluoro-1-heptafluoropropyl-2-oxo-pentyl]-phosphonic acid dipropyl ester

Conditions

Conditions	Yield
Ambient temperature;	A n/a B 64%

...Expand

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 536-74-3
phenylacetylene

A: 375-22-4
heptafluorobutyric Acid

B: 80967-16-4, 95452-53-2, 87384-88-1
(E)-(3,3,4,4,5,5,6,6,6-nonafluoro-1-hexen-1-yl)benzene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 240h;	A 3% B 64%

...Expand

: 53580-21-5
4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexane-1,3-dione

A: 375-22-4
heptafluorobutyric Acid

B: 3282-32-4
2-diazo-acetophenone

Conditions

Conditions	Yield
With 4-toluenesulfonyl azide; triethylamine In dichloromethane for 5h;	A n/a B 61%

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 106-95-6
allyl bromide

A: 375-22-4
heptafluorobutyric Acid

B: 375-17-7
nonafluorobutane

C: 129846-67-9
4,4,5,5,6,6,7,7,7-nonafluoro-1-heptene

Conditions

Conditions	Yield
With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution;	A n/a B n/a C 57%

...Expand

: 556-56-9
allyl iodid

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

A: 375-22-4
heptafluorobutyric Acid

B: 375-17-7
nonafluorobutane

C: 129846-67-9
4,4,5,5,6,6,7,7,7-nonafluoro-1-heptene

Conditions

Conditions	Yield
With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution;	A n/a B n/a C 55%

...Expand

: 629-05-0
n-octyne

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

A: 375-22-4
heptafluorobutyric Acid

B: 113999-54-5
(E)-1-(perfluorobutyl)-1-octene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 336h;	A 25% B 46%

...Expand

: 335-42-2
perfluorobutyryl fluoride

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
Stage #1: perfluorobutyryl fluoride With potassium hydroxide In water Stage #2: With sulfuric acid; silica gel at 100℃; for 3h;	45%
With water
With water

: 102061-82-5
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate

: 106-96-7
propargyl bromide

A: 375-22-4
heptafluorobutyric Acid

B: 132673-98-4
4,4,5,5,6,6,7,7,7-nonafluoro-1,2-heptadiene

Conditions

Conditions	Yield
With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h;	A 10% B 42%

...Expand

: 2C4F9(1-)*Ag(1+)*Cu(1+)

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
With water; triphenylphosphine at 20℃; for 12h; Inert atmosphere;	37%

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

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

A: 375-22-4
heptafluorobutyric Acid

B: 113999-53-4
1-phenyl-2-(perfluorobutyl)propene

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; catalase at 25 - 30℃; for 720h;	A 33% B 26%

...Expand

: 336-59-4
heptafluorobutyric anhydride

: 6921-34-2
benzylmagnesium chloride

A: 375-22-4
heptafluorobutyric Acid

B: 559-96-6
3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one

C: 81664-99-5
1,1,1,2,2,3,3-heptafluoro-4-phenylbutane

D: 112631-03-5
2-Benzyl-3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentan-2-ol

Conditions

Conditions	Yield
In diethyl ether; 1,1,2-Trichloro-1,2,2-trifluoroethane Ambient temperature; Yield given;	A n/a B 21% C 24% D 11%
In diethyl ether; 1,1,2-Trichloro-1,2,2-trifluoroethane Ambient temperature;	A n/a B 21% C 24% D 11%

...Expand

: 336-59-4
heptafluorobutyric anhydride

: 6921-34-2
benzylmagnesium chloride

A: 375-22-4
heptafluorobutyric Acid

B: 559-96-6
3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one

C: 81664-99-5
1,1,1,2,2,3,3-heptafluoro-4-phenylbutane

D: 112631-03-5
2-Benzyl-3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentan-2-ol

E C3F7CH2C6H4C3F7: C3F7CH2C6H4C3F7

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane Mechanism; Ambient temperature; various nucleophilic substrates investigated;	A n/a B 21% C 24% D 11% E n/a

...Expand

: 376-97-6
3,3,4,4,5,5,5-heptafluoro-1-iodopentene

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium permanganate

: 375-16-6
heptafluorobutyryl chloride

: 506-64-9
silver(I) cyanide

A: 375-22-4
heptafluorobutyric Acid

B: 356-10-5
heptafluoropropyl-hydroxy-malonic acid diamide

Conditions

Conditions	Yield
und Behandeln des als ein Dimeres des Heptafluor-2-oxo-valeronitrils angesehenen Reaktionsprodukts mit konz.wss.Salzsaeure;

...Expand

: 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

: 124-38-9
carbon dioxide

: 375-22-4
heptafluorobutyric Acid

Conditions

Conditions	Yield
(i) nBuLi, Et2O, (ii) /BRN= 1900390/; Multistep reaction;

: 292638-84-7
styrene

: 336-64-1
bis(heptafluorobutyryl) peroxide

A: 375-22-4
heptafluorobutyric Acid

B: 87384-87-0
(E)-(3,3,4,4,5,5,5-heptafluoropent-1-enyl)benzene

C: 99930-45-7
2,2,3,3,4,4,4-Heptafluoro-butyric acid 3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentyl ester

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 40℃; for 3h; in degassed and sealed tube;	A n/a B 7 % Chromat. C 89 % Chromat.

...Expand

: 336-64-1
bis(heptafluorobutyryl) peroxide

: 2406-25-9, 44871-19-4
di-tert-butyl nitroxide

A: 375-22-4
heptafluorobutyric Acid

B: 917-95-3
t-butylnitrite

C: 355-42-0
tetradecafluorohexane

D: 124-38-9
carbon dioxide

E: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

Conditions

Conditions	Yield
With in an ESR tube In 1,1,2-Trichloro-1,2,2-trifluoroethane at -30℃; for 0.5h; Product distribution; the reaction mixture was analyzed quantitatively by ESR, by NMR and GC;

...Expand

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 375-22-4
heptafluorobutyric Acid

B: 116-11-0
2-Methoxypropene

C: 79-20-9
acetic acid methyl ester

D: 2-(1-methoxy-1-methylethoxy)-2-methylpropane

Conditions

Conditions	Yield
In pyridine at 50℃; for 12h; Product distribution;	A 0.91 % Turnov. B 0.46 % Turnov. C 0.03 % Turnov. D 0.21 % Turnov.

...Expand

: 91481-65-1
t-butyl heptafluoroperoxybutyrate

A: 375-22-4
heptafluorobutyric Acid

B: 116-11-0
2-Methoxypropene

C: 425-24-1
tert-butyl heptafluorobutyrate

D: 77-76-9
2,2-dimethoxy-propane

E: 1-methoxy-1-methylethyl heptafluorobutyrate

Conditions

Conditions	Yield
In nitrobenzene at 70℃; for 7h; Product distribution;	A 0.90 % Turnov. B 0.19 % Turnov. C 0.02 % Turnov. D 0.06 % Turnov. E 0.05 % Turnov.

...Expand

: 375-22-4
heptafluorobutyric Acid

: 56-35-9
bis(tri-n-butyltin)oxide

: 23716-72-5
Tributyl-heptafluorbutyroxy-zinn

Conditions

Conditions	Yield
byproducts: H2O;	100%
byproducts: H2O;	100%

: 375-22-4
heptafluorobutyric Acid

: 611-05-2
4-nitro-3-methylaniline

: 942062-07-9
4-n-heptafluoropropylcarbonylamino-2-methylnitrobenzene

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 12h;	100%

: 375-22-4
heptafluorobutyric Acid

: 758692-47-6
ethyl α-diazo-α-(4-bromophenyl)acetate

: C14H10BrF7O4

Conditions

Conditions	Yield
With air In dichloromethane at 20℃; Irradiation;	99%

: 75-91-2
tert.-butylhydroperoxide

: 375-22-4
heptafluorobutyric Acid

: 603-36-1
triphenylantimony

: μ2-oxobis(heptafluorobutanoatetriphenylantimony)

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h;	98%

...Expand

: 375-22-4
heptafluorobutyric Acid

: 17465-86-0
cyclomaltooctaose

: octakis (6-O-perfluorobutanoyl)-γ-cyclodextrin

Conditions

Conditions	Yield
at 110℃; for 9h;	96%

: 375-22-4
heptafluorobutyric Acid

: (1S,2S,3aR,6aR)-2-benzamido-N-(tert-butyl)-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)octahydropentalene-2-carboxamide

: C12H22BNO4*C4HF7O2

Conditions

Conditions	Yield
Stage #1: (1S,2S,3aR,6aR)-2-benzamido-N-(tert-butyl)-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)octahydropentalene-2-carboxamide With hydrogenchloride; water; acetic acid at 130℃; for 0.5h; Inert atmosphere; Stage #2: heptafluorobutyric Acid With trifluoroacetic acid In water; acetonitrile Inert atmosphere;	96%

: 375-22-4
heptafluorobutyric Acid

: 33756-42-2
tri-p-fluorophenylstibine

: bis(heptafluorobutyrato)[tris(4-fluorophenyl)antimony]

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether; water at 20℃; for 24h;	96%

: 375-22-4
heptafluorobutyric Acid

: Rh2(O2CCH3)2[(C6H4)PPh2]2*(HO2CCH3)2

: 887305-64-8, 172989-20-7
(M)-Rh2(OC(O)(CF2)2CF3)2(C6H4P(C6H5)2)2

Conditions

Conditions	Yield
With N-((4-methylphenyl)sulfonyl)-L-proline In dichloromethane; acetone to soln. racemic Rh complex was added N-((4-methylphenyl)sulfonyl)-L-proline and rfluxed for 2 h, diastereomers were separated, crude product was dissolved in acetone, carboxylic acid in CH2Cl2 was added and stirred for 1/2 h; soln. was concd. and chromed.;	95%

: 375-22-4
heptafluorobutyric Acid

: yttrium(III) carbonate trihydrate

: yttrium(III) perfluorobutyrate dihydrate

Conditions

Conditions	Yield
In toluene refluxed for 24; ppt. filtered, recrystd (diethyl ether); elem. anal.;	95%

: 375-22-4
heptafluorobutyric Acid

: 247068-82-2
tert-butyl ((2S)-4-methyl-1-((2R)-2-methyloxirane-2-yl)-1-oxopentan-2-yl)carbamate

: C9H17NO2*C4HF7O2

Conditions

Conditions	Yield
In dichloromethane at 0 - 23℃; for 2h; Inert atmosphere;	94%

: 375-22-4
heptafluorobutyric Acid

: tris(2-methoxy-5-bromophenyl)antimony

: bis(heptafluorobutylato)tris(5-bromo-2-metoxyphenyl)antimony

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In diethyl ether; water at 20℃; for 24h;	94%

: dirhodium tetraacetate

: 375-22-4
heptafluorobutyric Acid

: 336-59-4
heptafluorobutyric anhydride

: dirhodium(II) tetrakis(perfluorobutyrate)

Conditions

Conditions	Yield
In neat (no solvent) refluxing, distn. off excess of perfluorobutyric acide;; cooling to 25°C, then to -20°C for several hours, filtn. of dark blue-green Rh-complex, washing (cold pentane), drying in vac., recrystn. (benzene), elem. anal.;	91%

...Expand

: dirhodium tetraacetate

: 375-22-4
heptafluorobutyric Acid

: 336-59-4
heptafluorobutyric anhydride

: rhodium(II) perfluorobutyrate

Conditions

Conditions	Yield
refluxing a soln. of 2 g Rh2(CH3CO2)4 in perfluorobutyric acid and perfluorobutyric anhydride for a few min; half of solvent distd. off; cooling to room temperature and then to -20°C for several hours;; filtration; washing with pentane; drying; recrystallization from purified benzene; stored in base-free desiccator over P2O5 in vac.; elem. anal.;;	91%

...Expand

: 375-22-4
heptafluorobutyric Acid

: 95-54-5
1,2-diamino-benzene

: 559-37-5
2-heptafluoropropyl-1H-benzoimidazole

Conditions

Conditions	Yield
at 120℃; for 4h;	90%
In neat (no solvent) at 120℃; for 4h; Product distribution; further perfluoroalkanecarboxylic acids or anhydrides; presence of polyphosphoric acid; variation of temperature and time;	90%
With hydrogenchloride In benzene for 16h; Heating;	32%
With hydrogenchloride

: 375-22-4
heptafluorobutyric Acid

: 102-50-1
2-methyl-4-methoxyaniline

: N-(4-methoxy-2-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

Conditions

Conditions	Yield
With tetrachloromethane; triethylamine; triphenylphosphine for 3h; Heating;	90%
With triethylamine; triphenylphosphine In tetrachloromethane for 3h; Heating;	90%

: 3859-41-4
1,3-cyclopentadione

: 375-22-4
heptafluorobutyric Acid

: 2-(2,2,3,3,4,4,4-heptafluorobutanoyl)cyclopentane-1,3-dione

Conditions

Conditions	Yield
With 1H-imidazole; 1,1'-carbonyldiimidazole In chloroform at 20℃; for 4h;	90%

: 375-22-4
heptafluorobutyric Acid

: 2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazole

: 2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazolium perfluorobutanoate

Conditions

Conditions	Yield
In water at 20℃;	90%

: 375-22-4
heptafluorobutyric Acid

: 2170-05-0
pentaphenylantimony

: tetraphenylantimony heptafluorobutanate

Conditions

Conditions	Yield
In benzene at 20℃; for 24h;	90%

: 375-22-4
heptafluorobutyric Acid

: 110-83-8
cyclohexene

: trans-2-iodocyclohexyl heptafluorobutyrate

Conditions

Conditions	Yield
With N-Jod-p-nitrobenzamid In dichloromethane for 16h; Ambient temperature;	89%

: 375-22-4
heptafluorobutyric Acid

: 578-54-1
ortho-ethylaniline

: N-(2-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

Conditions

Conditions	Yield
With tetrachloromethane; triethylamine; triphenylphosphine for 3h; Heating;	89%
With triethylamine; triphenylphosphine In tetrachloromethane for 3h; Heating;	89%

: 375-22-4
heptafluorobutyric Acid

: 110-18-9
N,N,N,N,-tetramethylethylenediamine

: 557-20-0
diethylzinc

: 1430808-85-7
EtZn(O2CC3F7)TMEDA

Conditions

Conditions	Yield
In hexane at -78 - 20℃; Inert atmosphere; Schlenk technique;	89%

...Expand

: 375-22-4
heptafluorobutyric Acid

: 13328-67-1, 51017-91-5
penta(p-tolyl)antimony(V)

: tetra-papa-tolylantimony heptafluorobutanate

Conditions

Conditions	Yield
In benzene at 20℃; for 24h;	88%

: 375-22-4
heptafluorobutyric Acid

: 110-18-9
N,N,N,N,-tetramethylethylenediamine

: 544-97-8
dimethyl zinc(II)

: 1430808-83-5
MeZn(O2CC3F7)TMEDA

Conditions

Conditions	Yield
In hexane at -78 - 20℃; Inert atmosphere; Schlenk technique;	87%

...Expand

: 375-22-4
heptafluorobutyric Acid

: 67-63-0
isopropyl alcohol

: 425-23-0
isopropyl 2,2,3,3,4,4,4-heptafluorobutyrate

Conditions

Conditions	Yield
for 2h; Reflux;	87%

: 375-22-4
heptafluorobutyric Acid

: 335-42-2
perfluorobutyryl fluoride

Conditions

Conditions	Yield
With N-(2-chloro-1,1,2-trifluoroethyl)diethylamine	86.5%
With N-(2-chloro-1,1,2-trifluoroethyl)diethylamine; sodium fluoride at -78℃; for 0.25h;	84%
at 300℃; Reaktion des Kupfer(II)-Salzes.Pyrolysis;

: 375-22-4
heptafluorobutyric Acid

: 336-59-4
heptafluorobutyric anhydride

: 648-19-1
bis-heptafluoropropyldihydrazide

Conditions

Conditions	Yield
by stirring at 0°C;	86%
by stirring at 0°C;	86%

: 375-22-4
heptafluorobutyric Acid

: 2407-68-3
3-dimethylaminoacrylonitrile

: 1037593-84-2
3-dimethylamino-2-(heptafluoropropylcarbonyl)acrylonitrile

Conditions

Conditions	Yield
With phosgene; triethylamine In toluene at 6 - 20℃; Inert atmosphere; Cooling with ice;	86%
With phosgene; triethylamine In toluene at 6 - 20℃; Cooling with ice; Inert atmosphere;

: 375-22-4
heptafluorobutyric Acid

: 189252-16-2
1-phenyl-1-(2-amino-3-methoxyphenyl)ethylene

: 8-methoxy-2-(perfluoropropyl)-4-phenylquinoline

Conditions

Conditions	Yield
In neat (no solvent) at 140℃; for 24h; Sealed tube;	86%

Heptafluorobutyric acid Consensus Reports

Reported in EPA TSCA Inventory.

Heptafluorobutyric acid Specification

The IUPAC name of this chemical is 2,2,3,3,4,4,4-heptafluorobutanoic acid. With the CAS registry number 375-22-4 and EINECS registry number 206-786-3, it is also named as Heptafluorobutyric acid. In addition, the molecular formula is C₄HF₇O₂ and the molecular weight is 214.04. What's more, it is a kind of clear colorless to faintly yellow liquid and belongs to the classes of Pharmaceutical Intermediates; Analytical Chemistry; Ion-Pair Reagents for HPLC; LC/MS Ion-Pair Reagents for Basic Samples; Acylation (GC Derivatizing Reagents); GC Derivatizing Reagents.

Physical properties about this chemical are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 0.2; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.291; (13)Molar Refractivity: 23.18 cm³; (14)Molar Volume: 127.4 cm³; (15)Polarizability: 9.19 ×10^-24cm³; (16)Surface Tension: 18.6 dyne/cm; (17)Density: 1.679 g/cm³; (18)Flash Point: 18 °C; (19)Enthalpy of Vaporization: 39.54 kJ/mol; (20)Boiling Point: 120.2 °C at 760 mmHg; (21)Vapour Pressure: 9.8 mmHg at 25°C.

Preparation of Heptafluorobutyric acid: it can be prepared by 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-butane. This reaction will need reagents lipoxygenase, 1/30 M aq. Na₂HPO₄/KH₂PO₄ and 2-octyne. The yield is about 83% at reaction temperature of 25-30 °C.

Heptafluorobutyric acid can be prepared by 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-butane

Uses of Heptafluorobutyric acid: It can be used an ion pair reagent for reverse-phase HPLC. And it is used in the sequencing, synthesis, and solubilizing of proteins and peptides. In addition, it can be used to get heptafluorobutyryl fluoride. This reaction will need reagents FAR and NaF. The reaction time is 15 minutes at reaction temperature of -78 °C. The yield is about 84%.

Heptafluorobutyric acid can be used to get heptafluorobutyryl fluoride

When you are using this chemical, please be cautious about it as the following:
This chemical can cause severe burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
(3)InChIKey: YPJUNDFVDDCYIH-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	68uL/kg (0.068mL/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 56, 1950.
rabbit	LD	intravenous	> 10uL/kg (0.01mL/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 56, 1950.

Product Name

Heptafluorobutyric acid

Synthetic route

Heptafluorobutyric acid Consensus Reports

Heptafluorobutyric acid Specification

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