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Cas Database

Name	Pentafluorobenzonitrile	EINECS	212-259-9
CAS No.	773-82-0	Density	1.55 g/cm³
PSA	23.79000	LogP	2.25378
Solubility	N/A	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;	Article Data	36

Pentafluorobenzonitrile 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

: 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%

: 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;

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

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