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Name	4-(4-Fluorophenyl)benzonitrile	EINECS	N/A
CAS No.	10540-31-5	Density	1.195 g/cm³
PSA	23.79000	LogP	3.36438
Solubility	N/A	Melting Point	112-116 °C(lit.)
Formula	C₁₃H₈FN	Boiling Point	329.632 °C at 760 mmHg
Molecular Weight	197.212	Flash Point	166.064 °C
Transport Information	UN 3077 9/PG 3	Appearance	N/A
Safety	26-39-60-61	Risk Codes	37/38-41-50/53
Molecular Structure		Hazard Symbols	Xn,Xi
Synonyms	4-Biphenylcarbonitrile,4'-fluoro- (7CI,8CI);4-Cyano-4'-fluorobiphenyl;4'-Fluoro-1,1'-biphenyl-4-carbonitrile;	Article Data	46

4-(4-Fluorophenyl)benzonitrile Synthetic route

: 623-00-7
4-bromobenzenecarbonitrile

: 1765-93-1
4-fluoroboronic acid

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

: 66107-32-2
4-cyanophenyl trifluoromethanesulfonate

: potassim 4-fluorophenyltrifluoroborate

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

Conditions	Yield
With palladium diacetate In ethanol at 95℃; for 0.25h; microwave irradiation;	99%

: 623-03-0
4-Cyanochlorobenzene

: 352-13-6
4-flourophenylmagnesium bromide

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

: 623-00-7
4-bromobenzenecarbonitrile

: potassim 4-fluorophenyltrifluoroborate

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

: 623-03-0
4-Cyanochlorobenzene

: 1765-93-1
4-fluoroboronic acid

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

Conditions	Yield
With C23H20ClFeN3Pd; potassium carbonate In water; N,N-dimethyl-formamide at 80℃; for 4h; Reagent/catalyst; Suzuki-Miyaura Coupling;	95%

: 1765-93-1
4-fluoroboronic acid

: 767-00-0
4-cyanophenol

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

: 4-cyanophenyl sulfurofluoridate

: 1765-93-1
4-fluoroboronic acid

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

Conditions	Yield
With palladium diacetate; triethylamine In water at 20℃; for 2h; Suzuki-Miyaura Coupling;	94%

: 2-(4-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

: 33719-37-8
4-cyanobenzene-1-sulfonyl fluoride

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate; diisopropylamine In ethanol; water at 45℃; for 4h;	94%

: 3058-39-7
4-iodobenzonitrile

: 17151-47-2
tributyl(4-fluorophenyl)stannane

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

: 623-00-7
4-bromobenzenecarbonitrile

: 214360-58-4
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 10540-31-5
4-cyano-4'-fluorobiphenyl

Conditions

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%

4-(4-Fluorophenyl)benzonitrile Chemical Properties

Molecular Formula: C₁₃H₈FN
Molecular Weight: 197.21
Density: 1.19 g/cm³Flash 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):

4-(4-Fluorophenyl)benzonitrile Safety Profile

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

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