Pentafluorobenzonitrile supplier

Name
Pentafluorobenzonitrile
EINECS 212-259-9
CAS No. 773-82-0
Article Data36
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point 2.4 °C
Formula C₇F₅N
Boiling Point 162 °C at 760 mmHg
Molecular Weight 193.076
Flash Point 51.8 °C
Transport Information UN 1993 3/PG 3
Appearance white crystal
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols Xi,F,T
Synonyms Benzonitrile,pentafluoro- (6CI,7CI,8CI,9CI);2,3,4,5,6-Pentafluorobenzonitrile;Cyanopentafluorobenzene;NSC 88294;Pentafluorocyanobenzene;Pentafluorophenyl cyanide;Perfluorobenzonitrile;
PSA 23.79000
LogP 2.25378

Synthetic route

: 20925-85-3
pentachlorobenzonitrile

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With potassium fluoride at 320 - 340℃; under 7500.75 Torr; for 20h; Temperature; Concentration; Pressure; Autoclave; Inert atmosphere;	98.7%
With potassium fluoride; tetrabutyl ammonium fluoride In toluene at 220℃; Reagent/catalyst;	90.4%
With potassium fluoride In benzonitrile at 230℃; for 30h; Temperature; Concentration;
With potassium fluoride at 110 - 120℃; for 10h; Time; Inert atmosphere;	270 kg

: C26H15AuF5N2P

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
In 1,4-dioxane at 100℃; for 30h; Kinetics; Inert atmosphere; Schlenk technique; Sealed tube;	95%

: 7677-24-9
trimethylsilyl cyanide

: C34H40AuF6NP(1+)*F6Sb(1-)

A: 773-82-0
Pentafluorobenzonitrile

B: F6Sb(1-)*C32H49AuN2PSi(1+)

Conditions

Conditions	Yield
In dichloromethane-d2 at 50℃; for 12h; Glovebox;	A 92% B n/a

...Expand

: 653-37-2
perfluorobenzaldehyde

A: 773-82-0
Pentafluorobenzonitrile

B: 652-31-3
2,3,4,5,6-pentafluorobenzamide

Conditions

Conditions	Yield
With [Ru(η6-C6Me6)Cl2(tris(dimethylamino)phosphine)]; hydroxylamine hydrochloride; sodium hydrogencarbonate In water at 100℃; for 7h; Reagent/catalyst; Inert atmosphere; Sealed tube; Green chemistry;	A n/a B 90%

: 778-34-7
1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With ammonia at 5℃; for 3h; Temperature; Autoclave;	86%

: 27318-28-1
2,3,4,5,6-pentafluorobenzaldehyde oxime

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With [PdCl2{κ2-(P,N)-2-Ph2PC6H4CH=NOH}] In acetonitrile at 100℃; for 24h; Catalytic behavior; Temperature; Inert atmosphere; Sealed tube;	82%

: 20925-85-3
pentachlorobenzonitrile

A: 773-82-0
Pentafluorobenzonitrile

B: 31881-89-7
2,4,6-trifluoro-3,5-dichlorobenzonitrile

Conditions

Conditions	Yield
With potassium fluoride In benzonitrile at 320 - 340℃; for 12 - 18h; Product distribution / selectivity;	A 76.9% B 3%

: 684-78-6
O,N-bis-(trifluoroacetyl)-hydroxylamine

: 653-37-2
perfluorobenzaldehyde

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With pyridine In benzene heating on water bath, 3 h; washing with 2.5 N NaOH, 5 N HCl and NaHSO3;	75%
With pyridine In benzene heating on water bath, 3 h; washing with 2.5 N NaOH, 5 N HCl and NaHSO3;	75%

: potassium fluoride

: 20925-85-3
pentachlorobenzonitrile

A: 773-82-0
Pentafluorobenzonitrile

B: 31881-88-6
3-chloro-2,4,5,6-tetrafluorobenzonitrile

Conditions

Conditions	Yield
heating to 350°C, 20 h in autoclave; distn.;	A 70% B 9%
heating to 350°C, 20 h in autoclave; distn.;	A 70% B 9%
heating to 480°C, 20 h in autoclave; distn.;	A 47% B 9%
heating to 480°C, 20 h in autoclave; distn.;	A 47% B 9%

...Expand

: 344-04-7
bromopentafluorobenzene

: copper(l) cyanide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
In N,N-dimethyl-formamide refluxing;	65%
With iron(III) chloride In N,N-dimethyl-formamide heating at 147-158°C, 13 h; after then with FeCl3 at 100°C, 0.5 h;
With FeCl3 In N,N-dimethyl-formamide heating at 147-158°C, 13 h; after then with FeCl3 at 100°C, 0.5 h;

: potassium fluoride

: 20925-85-3
pentachlorobenzonitrile

A: 773-82-0
Pentafluorobenzonitrile

B: 31881-88-6
3-chloro-2,4,5,6-tetrafluorobenzonitrile

C: 31881-89-7
2,4,6-trifluoro-3,5-dichlorobenzonitrile

Conditions

Conditions	Yield
heating to 300°C, 40 h in autoclave; distn.;	A 3% B 12% C 64%
heating to 300°C, 40 h in autoclave; distn.;	A 3% B 12% C 64%

...Expand

: 879-05-0
2,3,4,5,6-pentafluorophenylmagnesium bromide

: 1122-85-6
phenyl cyanate

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
In diethyl ether at -15℃; for 2h;	45%

: 344-07-0
1-chloro-2,3,4,5,6-pentafluorobenzene

: copper(l) cyanide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
In N,N-dimethyl-formamide heating at 150°C, 48 h;	5%

: 652-31-3
2,3,4,5,6-pentafluorobenzamide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With phosphorus pentoxide at 200℃;
With phosphorus pentoxide at 200 - 250℃; for 1.25h;

: 51579-56-7
undecafluorocyclohexanecarbonitrile

A: 773-82-0
Pentafluorobenzonitrile

B: 355-02-2
perfluoro(methylcyclohexane)

C: 90408-45-0
nonafluorocyclohex-1-enecarbonitrile

Conditions

Conditions	Yield
With iron(III) oxide at 400 - 435℃;	A 0.04 g B 0.03 g C 0.68 g

...Expand

: 100-47-0
benzonitrile

A: 773-82-0
Pentafluorobenzonitrile

B: 355-68-0
perfluorocyclohexane

C: 394-47-8
2-fluorobenzonitrile

D: 51579-56-7
undecafluorocyclohexanecarbonitrile

Conditions

Conditions	Yield
With caesium tetrafluorocobaltate(III) at 300℃; for 1.5h; Product distribution; fluorination of benzonitriles over caesium tetrafluorocobaltate(III) at elevates temperatures;	A 0.28 g B 0.22 g C 0.03 g D 0.99 g
With caesium tetrafluorocobaltate(III) at 300℃; for 1.5h; Yields of byproduct given;	A 0.28 g B 0.22 g C 0.03 g D n/a
With caesium tetrafluorocobaltate(III) at 300℃; for 1.5h; Yield given. Yields of byproduct given;

...Expand

: 344-04-7
bromopentafluorobenzene

: 544-92-3
copper(I) cyanide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
at 147 - 158℃;

: 653-37-2
perfluorobenzaldehyde

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With O,N-bis-(trifluoroacetyl)-hydroxylamine

: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

: 544-92-3
copper(I) cyanide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
at 160℃;

: C8H3F5NO(1-)*Na(1+)

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
In methanol at 50.1℃; Equilibrium constant;

: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

CuCN: CuCN

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With pyridine

: 110-05-4
di-tert-butyl peroxide

: O-dodecyl pentafluorobenzaldoxime

A: 112-41-4
1-dodecene

B: 112-54-9
Dodecanal

C: 773-82-0
Pentafluorobenzonitrile

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In benzene Product distribution; Disproportionation; Photolysis;

...Expand

: 110-05-4
di-tert-butyl peroxide

: O-[3-(cyclohex-2-enyloxy)propionyl] pentafluorobenzaldoxime

A: 653-37-2
perfluorobenzaldehyde

B: 773-82-0
Pentafluorobenzonitrile

C: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With di-tert-butyl peroxide for 24h; Product distribution; Irradiation;

...Expand

: 20925-85-3
pentachlorobenzonitrile

A: 455-32-3
benzoyl fluoride

B: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With potassium fluoride; potassium hydroxide In benzonitrile at 315℃; for 18h;

: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

: copper(l) cyanide

: 773-82-0
Pentafluorobenzonitrile

Conditions

Conditions	Yield
With iron(III) chloride In N,N-dimethyl-formamide heating at 147-158°C, 13 h; after then with FeCl3 at 100°C, 0.5 h;
In pyridine heating at 150°C (becomes black), 5 min; distn.;
In pyridine heating at 150°C (becomes black), 5 min; distn.;
With FeCl3 In N,N-dimethyl-formamide heating at 147-158°C, 13 h; after then with FeCl3 at 100°C, 0.5 h;
In pyridine heating at 150°C (becomes black), 5 min; distn.;

: 75-15-0
carbon disulfide

: C34H43F5N4OTi

A: 773-82-0
Pentafluorobenzonitrile

B: Cp*Ti-{PhC(NiPr)2}{SC(S)N(OtBu)}

Conditions

Conditions	Yield
In benzene-d6 at 20℃; for 360h; Inert atmosphere;

...Expand

: 24973-39-5
pentafluoro(difluoroiodo)benzene

A: 773-82-0
Pentafluorobenzonitrile

B: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dichloromethane / 1 h 2: dichloromethane / 0.37 h / 20 °C 3: dichloromethane / 94 °C / Sealed tube; Inert atmosphere View Scheme

: 121824-93-9
C12F10I(1+)*F(1-)

A: 773-82-0
Pentafluorobenzonitrile

B: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dichloromethane / 0.37 h / 20 °C 2: dichloromethane / 94 °C / Sealed tube; Inert atmosphere View Scheme

: C13F10IN

A: 773-82-0
Pentafluorobenzonitrile

B: 827-15-6
1,2,3,4,5-pentafluoro-6-iodobenzene

Conditions

Conditions	Yield
In dichloromethane at 94℃; Sealed tube; Inert atmosphere;

: 32660-96-1
(pentamethylcyclopentadienyl)(dicarbonyl)iridium(I)

: 773-82-0
Pentafluorobenzonitrile

: 7732-18-5
water

: Cp*Ir(CO)(COOH)(C6F4CN)

Conditions

Conditions	Yield
at 20℃; Inert atmosphere; Schlenk technique; Molecular sieve; Irradiation;	100%
In water (Ar); Schlenk technique or Carius tube; F ligand and H2O were added to Ir complex in tube; degassed by freeze-pump-thaw; stirred at room temp.; filtered; solvent removed (vac.); hexane/CH2Cl2 added to supernatant; slowly evapd.; combined; elem. anal.;	99%

...Expand

: 773-82-0
Pentafluorobenzonitrile

: 499099-69-3
6-pentafluorophenyl-1,3,2,4,5-dioxadithiazine-2,2,4,4-tetroxide

Conditions

Conditions	Yield
With sulfur trioxide at 20℃; for 24h;	99%

: 773-82-0
Pentafluorobenzonitrile

: 507221-58-1
2,6-bis(pentafluorophenyl)-1,4,3,5-oxathiadiazine-4,4-dioxide

Conditions

Conditions	Yield
With sulfur trioxide at 65℃; for 12h;	99%

: 773-82-0
Pentafluorobenzonitrile

: 105-56-6
ethyl 2-cyanoacetate

: potassium 2-cyano-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-1-ethoxyethen-1-olate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 82℃; for 17h; Inert atmosphere; Industrial scale;	99%
With potassium carbonate In acetonitrile at 82℃; for 17h; Inert atmosphere; Industrial scale;	99%

: 773-82-0
Pentafluorobenzonitrile

: 105-56-6
ethyl 2-cyanoacetate

: 64934-70-9
ethyl 2-cyano-2-(4-cyanoperfluorophenyl)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h;	99%

: 773-82-0
Pentafluorobenzonitrile

: 75-64-9
tert-butylamine

: 4-(tert-butylamino)tetrafluorobenzonitrile

Conditions

Conditions	Yield
In chloroform at 20℃; for 1.5h;	99%

: 773-82-0
Pentafluorobenzonitrile

: 124-40-3
dimethyl amine

: 5291-87-2
4-(dimethylamino)-2,3,5,6-tetrafluorobenzonitrile

Conditions

Conditions	Yield
In benzene	98%
In benzene	98%
In nitromethane
In nitromethane

: 773-82-0
Pentafluorobenzonitrile

: 74-89-5
methylamine

: 28012-05-7
N-Methyl-p-cyanotetrafluoroaniline

Conditions

Conditions	Yield
In water; isopropyl alcohol at 20℃; for 72h;	98%
In nitromethane

: 773-82-0
Pentafluorobenzonitrile

: 1548-77-2
2,3,4,5,6-pentafluorobenzylamine

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran for 10h; Heating;	98%

: 773-82-0
Pentafluorobenzonitrile

: 74-89-5
methylamine

A: C6F4CNNHCH3

B: 28012-05-7
N-Methyl-p-cyanotetrafluoroaniline

Conditions

Conditions	Yield
In nitromethane	A <1 B 98%
In nitromethane	A <1 B 98%
In benzene at 20°C, 5 min;	A 6% B 94%
In benzene at 20°C, 5 min;	A 6% B 94%

...Expand

: 773-82-0
Pentafluorobenzonitrile

: 17823-38-0
4-amino-2,3,5,6-tetrafluorobenzonitrile

Conditions

Conditions	Yield
With ammonium hydroxide In acetonitrile at 20℃; for 10h; Cooling with ice;	98%
With ammonium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In ethyl acetate at -15 - -5℃; for 10h; Large scale;	98%
With ammonia In water; ethyl acetate at 20℃; for 6h;	93%

: 773-82-0
Pentafluorobenzonitrile

: 17669-01-1, 56190-51-3, 15853-98-2
(+)-usnic acid

: 2,6-diacetyl-3,9-dihydroxy-7-(2',3',5',6'-tetrafluoro-4'-(cyano)-phenoxy)-8,9b-dimethyl-9bH-dibenzofuran-1-one

Conditions

Conditions	Yield
Stage #1: (+)-usnic acid With potassium carbonate In N,N-dimethyl-formamide at 20 - 45℃; Stage #2: Pentafluorobenzonitrile	98%

: 1658-27-1
1,5-dioxaspiro[5.5]undecane-2,4-dione

: 773-82-0
Pentafluorobenzonitrile

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: C16H11F4NO4*C8H19N

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 7h;	98%

...Expand

: 773-82-0
Pentafluorobenzonitrile

A: 5216-17-1
2,3,5,6-tetrafluorobenzonitrile

B: 16582-93-7
2,3,4,5-tetrafluorobenzonitrile

Conditions

Conditions	Yield
With tetrabutylammonium triphenyldifluorosilicate; HSiPh3 In tetrahydrofuran; benzene-d6 at 20℃; for 8h; Inert atmosphere; Sealed tube;	A 97% B 3%
With 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+[Cl-Au-Cl]-; diphenylsilane; acetic acid In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere;
With Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; copper(l) chloride In tetrahydrofuran for 12h; Inert atmosphere; Reflux; Overall yield = 100 %Spectr.; regioselective reaction;

: 773-82-0
Pentafluorobenzonitrile

: 31469-89-3
4-azido-2,3,5,6-tetrafluorobenzonitrile

Conditions

Conditions	Yield
With sodium azide; copper(II) acetate monohydrate In acetonitrile at 20℃; Schlenk technique;	97%
With sodium azide; N,N,N,N-tetraethylammonium tetrafluoroborate In water; N,N-dimethyl-formamide at 25℃; for 4h; Reagent/catalyst;	95%
With sodium azide In water; acetone at 70℃; for 0.25h; Reflux; Microwave irradiation;	90%
With sodium azide In water; acetone at 85℃; for 6h;	65%
With sodium azide In water; acetone at 85℃; for 6h;	65%

: 773-82-0
Pentafluorobenzonitrile

: 86-74-8
9H-carbazole

: 2,3,4,5,6-penta(9H-carbazol-9-yl)benzonitrile

Conditions

Conditions	Yield
Stage #1: 9H-carbazole With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: Pentafluorobenzonitrile In tetrahydrofuran; mineral oil at 20℃; for 12h; Inert atmosphere;	97%
Stage #1: 9H-carbazole With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: Pentafluorobenzonitrile In tetrahydrofuran at 20℃; for 24h; Schlenk technique; Inert atmosphere;	95%
With potassium tert-butylate In dichloromethane; N,N-dimethyl-formamide for 6h; Inert atmosphere;	90%
With potassium carbonate In dimethyl sulfoxide at 20 - 150℃; for 24h; Inert atmosphere;	61%

: 75687-68-2
3-tert-butyltitanacyclobutane

: 773-82-0
Pentafluorobenzonitrile

: (C5H5)2Ti(C3H2N2)(C6F5)2

Conditions

Conditions	Yield
In benzene (Ar); Ti compd. in benzene was stirred with C6F5CN (1:2,0 mol) at 50°C for 5,5 h; removal of solvent yielded the product;	96%

: 110-89-4
piperidine

: 75-15-0
carbon disulfide

: 773-82-0
Pentafluorobenzonitrile

: 4-cyano-2,3,5,6-tetrafluorophenyl piperidine-1-carbodithioate

Conditions

Conditions	Yield
Stage #1: piperidine; carbon disulfide With potassium phosphate In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; Stage #2: Pentafluorobenzonitrile In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; regioselective reaction;	96%

...Expand

: 75-15-0
carbon disulfide

: 773-82-0
Pentafluorobenzonitrile

: 102-97-6
Benzyl-isopropyl-amin

: 4-cyano-2,3,5,6-tetrafluorophenyl-N-benzyl-N-isopropylcarbamodithioate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; Benzyl-isopropyl-amin With potassium phosphate In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; Stage #2: Pentafluorobenzonitrile In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; regioselective reaction;	96%

...Expand

: 116-17-6
triisopropyl phosphite

: 773-82-0
Pentafluorobenzonitrile

: (Amino-pentafluorophenyl-methyl)-phosphonic acid diisopropyl ester

Conditions

Conditions	Yield
With nickel(II) chloride hexahydrate In toluene at 100℃; for 16h; Schlenk technique; Glovebox;	96%

: 773-82-0
Pentafluorobenzonitrile

: 82100-30-9
1-phenyl-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one

: 10-benzoyl-7-cyano-6,8,9-trifluoro-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Conditions

Conditions	Yield
Stage #1: Pentafluorobenzonitrile; 1-phenyl-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one With sodium carbonate In 1,4-dioxane at 85℃; for 4h; Stage #2: With caesium carbonate In 1,4-dioxane for 2.5h; Reflux;	96%

: 773-82-0
Pentafluorobenzonitrile

: 602-94-8
Pentafluorobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid In water at 155℃; for 2h; Temperature;	95.3%
With sulfuric acid In water at 145 - 165℃; for 15h;
With sulfuric acid hydrolysis at 180°C, with 75 % H2SO4;

: 773-82-0
Pentafluorobenzonitrile

: 652-31-3
2,3,4,5,6-pentafluorobenzamide

Conditions

Conditions	Yield
With [OsCl2(η6-p-cymene)(PMe2OH)]; water at 80℃; for 1.5h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Sealed tube;	95%
With fac-[(CO)3Mn(iPr2P(CH2)2PiPr2)(triflato)]; water In tetrahydrofuran at 100℃; for 18h; Glovebox; Inert atmosphere; Schlenk technique;	94%
With N-ethyl-N-hydroxy-ethanamine; water; copper diacetate In ethanol at 35℃; for 3h;	92%

: 67506-90-5
dimethylbis(η5-pentamethylcyclopentadienyl)thorium

: 773-82-0
Pentafluorobenzonitrile

: 937037-26-8
(C5(CH3)5)2Th(NC(CH3)C6F5)2

Conditions

Conditions	Yield
In toluene dropwise addn. of soln. of nitrile in toluene to a stirred soln. of (C5Me5)2ThMe2 in toluene under inert atmosphere, stirring at room temp. for 14 h; removal of volatiles in vac., dissolution in pentane, hot filtration through Celite, isolation of product from filtrate, drying under reduced pressure;	95%

: 773-82-0
Pentafluorobenzonitrile

: 90149-61-4
p-cyanophenyl n-dodecanoate

A: 2266-69-5
n-Dodecanoyl fluoride

B: C14H4F4N2O

Conditions

Conditions	Yield
With hydridotetakis(triphenylphosphine)rhodium(I); cis-1,2-bis-(diphenylphosphino)ethene In chlorobenzene for 2h; Inert atmosphere; Reflux;	A 95% B n/a

...Expand

: 773-82-0
Pentafluorobenzonitrile

: 112030-64-5
1-(4-bromophenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one

: 10-(4-bromobenzoyl)-7-cyano-6,8,9-trifluoro-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Conditions

Conditions	Yield
Stage #1: Pentafluorobenzonitrile; 1-(4-bromophenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one With caesium carbonate In 1,4-dioxane at 85℃; for 3h; Stage #2: With caesium carbonate In 1,4-dioxane for 2.5h; Reflux;	95%

: 773-82-0
Pentafluorobenzonitrile

: {C6F5CNSNS}(1+)*AsF6(1-)={C6F5CNSNS}{AsF6}

Conditions

Conditions	Yield
With dithionitronium hexafluoroarsenate for 3h; Ambient temperature;	94%

: 773-82-0
Pentafluorobenzonitrile

: 7640-65-5
disodiumtetrafluorohydroquinone

: 15053-71-1
1,4-bis(4'-cyano-2,3,5,6-tetrafluorophenoxytetrafluoro)benzene

Conditions

Conditions	Yield
In acetone at 20°C, 12 d;	94%
In acetone at 20°C, 12 d;	94%

Pentafluorobenzonitrile Chemical Properties

The molecular formula of Pentafluorobenzonitrile(773-82-0) is C₇F₅N and its formula weight is 193.07.
The density of Pentafluorobenzonitrile(773-82-0) is 1.532 g/mL at 25 °C(lit.) and it has a melting point of 2.4 °C. The boiling point is 162-164 °C(lit.). The refractive index is about 1.442(lit.). Its flash point is 85 °F.
The chemical synonyms of Pentafluorobenzonitrile(773-82-0) are Cyanopentafluorobenzene;pentafluoro-benzonitril;Pentafluorocyanobenzene;PERFLUOROBENZONITRILE;PENTAFLUOROBENZONITRILE;2,3,4,5,6-PENTAFLUORO BENZONITRILE;LABOTEST-BB LT00159675;Pentefluorobenzonitrile
The molecular structure of Pentafluorobenzonitrile(773-82-0):

Pentafluorobenzonitrile Toxicity Data With Reference

RTECS#: CAS# 773-82-0: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: PENTAFLUOROBENZONITRILE - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

Pentafluorobenzonitrile Safety Profile

Hazard Codes Xi,F,T
Risk Statements 10
Safety Statements 16
RIDADR UN 1993 3/PG 3
WGK Germany 3
Hazard Note Irritant/Flammable
TSCA T
HazardClass 3
PackingGroup III
HS Code 29269095

Pentafluorobenzonitrile Specification

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Strong oxidants.
Incompatibilities with Other Materials Not available
Hazardous Decomposition Products Irritating and toxic fumes and gases.
Hazardous Polymerization Hazardous Polymerization

Product Name

Pentafluorobenzonitrile

Synthetic route

Pentafluorobenzonitrile Chemical Properties

Pentafluorobenzonitrile Toxicity Data With Reference

Pentafluorobenzonitrile Safety Profile

Pentafluorobenzonitrile Specification

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