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CAS No.: | 10540-31-5 |
---|---|
Name: | 4-(4-Fluorophenyl)benzonitrile |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C13H8FN |
Molecular Weight: | 197.212 |
Synonyms: | 4-Biphenylcarbonitrile,4'-fluoro- (7CI,8CI);4-Cyano-4'-fluorobiphenyl;4'-Fluoro-1,1'-biphenyl-4-carbonitrile; |
Density: | 1.195 g/cm3 |
Melting Point: | 112-116 °C(lit.) |
Boiling Point: | 329.632 °C at 760 mmHg |
Flash Point: | 166.064 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 37/38-41-50/53 |
Safety: | 26-39-60-61 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 23.79000 |
LogP: | 3.36438 |
Conditions | Yield |
---|---|
With potassium carbonate; palladium dichloride In ethanol; water at 20℃; for 0.0833333h; Suzuki cross-coupling; | 99% |
With potassium carbonate; polymer-supported Pd catalyst FC 1001 In ethanol at 110℃; for 0.166667h; Suzuki coupling; microwave irradiation; | 98% |
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 1h; Suzuki coupling; Inert atmosphere; | 98% |
4-cyanophenyl trifluoromethanesulfonate
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With palladium diacetate In ethanol at 95℃; for 0.25h; microwave irradiation; | 99% |
4-Cyanochlorobenzene
4-flourophenylmagnesium bromide
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
Stage #1: 4-Cyanochlorobenzene With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate In tetrahydrofuran; toluene Kumada Cross-Coupling; Inert atmosphere; Sealed tube; Stage #2: 4-flourophenylmagnesium bromide In tetrahydrofuran; toluene at 20℃; for 1.5h; Kumada Cross-Coupling; Inert atmosphere; Sealed tube; chemoselective reaction; | 98% |
4-bromobenzenecarbonitrile
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate In methanol for 2h; Suzuki-Miyaura cross-coupling; Heating; | 96% |
With potassium carbonate; palladium diacetate In methanol for 2h; Suzuki reaction; Heating; | 96% |
Conditions | Yield |
---|---|
With C23H20ClFeN3Pd; potassium carbonate In water; N,N-dimethyl-formamide at 80℃; for 4h; Reagent/catalyst; Suzuki-Miyaura Coupling; | 95% |
Conditions | Yield |
---|---|
Stage #1: 4-cyanophenol With fluorosulfonyl fluoride; triethylamine In ethanol; water at 20℃; for 4h; Stage #2: 4-fluoroboronic acid With palladium diacetate; triethylamine In ethanol; water at 20℃; for 6h; | 95% |
Conditions | Yield |
---|---|
With palladium diacetate; triethylamine In water at 20℃; for 2h; Suzuki-Miyaura Coupling; | 94% |
4-cyanobenzene-1-sulfonyl fluoride
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate; diisopropylamine In ethanol; water at 45℃; for 4h; | 94% |
4-iodobenzonitrile
tributyl(4-fluorophenyl)stannane
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With 4,4’‐bis(trimethylammoniummethyl)‐2,2’‐bipyridine; diamminedichloropalladium(II); sodium hydrogencarbonate In water at 110℃; for 3h; Stille Cross Coupling; Sealed tube; | 93% |
4-bromobenzenecarbonitrile
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-cyano-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 90℃; for 12h; Inert atmosphere; | 92.5% |
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Molecular Formula: C13H8FN
Molecular Weight: 197.21
Density: 1.19 g/cm3
Flash Point: 166.1 °C
Index of Refraction: 1.595
Enthalpy of Vaporization: 57.21 kJ/mol
Boiling Point: 329.6 °C at 760 mmHg
Vapour Pressure: 0.000175 mmHg at 25°C
Melting point of 4-(4-Fluorophenyl)benzonitrile (10540-31-5): 112-116 ºC
Product Name: 4-(4-Fluorophenyl)benzonitrile
Product Categories: C10 to C27 ; Cyanides/Nitriles ; Nitrogen Compounds
Synonyms: 4-(4-Fluorophenyl)benzonitrile 97 ; 4-Fluoro-4''-dibenzonotrile ; 4-(4-Fluorophenyl)benzonitrile ; FCB
Following is the molecular structure of 4-(4-Fluorophenyl)benzonitrile (10540-31-5):
Safety Information of 4-(4-Fluorophenyl)benzonitrile (10540-31-5):
Hazard Codes: Xi,N
Xi: Irritant N: Dangerous for the environment
Risk Statements: 37/38-41-50/53
37/38: Irritating to respiratory system and skin
41: Risk of serious damage to eyes
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-39-60-61
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
39: Wear eye/face protection
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3077 9/PG 3
WGK Germany: 3