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773-82-0

Basic Information
CAS No.: 773-82-0
Name: Pentafluorobenzonitrile
Article Data: 36
Molecular Structure:
Molecular Structure of 773-82-0 (Pentafluorobenzonitrile)
Formula: C7F5N
Molecular Weight: 193.076
Synonyms: Benzonitrile,pentafluoro- (6CI,7CI,8CI,9CI);2,3,4,5,6-Pentafluorobenzonitrile;Cyanopentafluorobenzene;NSC 88294;Pentafluorocyanobenzene;Pentafluorophenyl cyanide;Perfluorobenzonitrile;
EINECS: 212-259-9
Density: 1.55 g/cm3
Melting Point: 2.4 °C
Boiling Point: 162 °C at 760 mmHg
Flash Point: 51.8 °C
Appearance: white crystal
Hazard Symbols: IrritantXi,FlammableF,ToxicT
Risk Codes: 10
Safety: 16
Transport Information: UN 1993 3/PG 3
PSA: 23.79000
LogP: 2.25378
Synthetic route
20925-85-3

pentachlorobenzonitrile

773-82-0

Pentafluorobenzonitrile

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In dichloromethane-d2 at 50℃; for 12h; Glovebox;A 92%
B n/a
653-37-2

perfluorobenzaldehyde

A

773-82-0

Pentafluorobenzonitrile

B

652-31-3

2,3,4,5,6-pentafluorobenzamide

Conditions
ConditionsYield
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
ConditionsYield
With ammonia at 5℃; for 3h; Temperature; Autoclave;86%
27318-28-1

2,3,4,5,6-pentafluorobenzaldehyde oxime

773-82-0

Pentafluorobenzonitrile

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
344-04-7

bromopentafluorobenzene

copper(l) cyanide

773-82-0

Pentafluorobenzonitrile

Conditions
ConditionsYield
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;
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Chemistry

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):

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.

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

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