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Basic Information
| CAS No.: | 773-82-0 |
|---|---|
| Name: | Pentafluorobenzonitrile |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi, F, T
|
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 23.79000 |
| LogP: | 2.25378 |
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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 |
- 773-82-0
Pentafluorobenzonitrile
Conditions
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 100℃; for 30h; Kinetics; Inert atmosphere; Schlenk technique; Sealed tube; | 95% |
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% |
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% |
- 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
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; |
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Pentafluorobenzonitrile
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):
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.
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
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
Conditions to Avoid: Strong oxidants.
Incompatibilities with Other Materials Not available
Hazardous Decomposition Products Irritating and toxic fumes and gases.
Hazardous Polymerization Hazardous Polymerization