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CAS No.: | 3096-81-9 |
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Name: | 4-PHENOXYBENZONITRILE |
Article Data: | 124 |
Molecular Structure: | |
Formula: | C13H9NO |
Molecular Weight: | 195.221 |
Synonyms: | Benzonitrile,p-phenoxy- (6CI,7CI,8CI);1-Cyano-4-phenoxybenzene;4-Cyanodiphenyl ether;4-Cyanophenyl phenyl ether;p-Cyanophenyl phenyl ether;p-Phenoxybenzonitrile; |
Density: | 1.17 g/cm3 |
Melting Point: | 42-46 °C(lit.) |
Boiling Point: | 325.4 °C at 760 mmHg |
Flash Point: | 137.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 26-36 |
Transport Information: | UN 3439 |
PSA: | 33.02000 |
LogP: | 3.35058 |
Conditions | Yield |
---|---|
With potassium phosphate In tetrahydrofuran at 115℃; for 18h; | 100% |
With CF3-DPPF; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran; toluene at 120℃; for 20h; | 79.6% |
With CF3-DPPF ligand; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran; toluene at 120℃; for 30h; Product distribution; various DPPF ligands for the Pd-catalyzed formation of diaryl ethers; |
Conditions | Yield |
---|---|
With N,N-dimethylglycine hydrochoride; caesium carbonate; copper(l) iodide In 1,4-dioxane at 90℃; for 88h; | 100% |
With caesium carbonate; copper(l) iodide; N,N-dimethylglycine hydrochoride In 1,4-dioxane at 90℃; for 88h; Inert atmosphere; | 100% |
With copper(l) iodide; N,N-dimethylglycine hydrochoride; caesium carbonate In 1,4-dioxane at 90℃; for 88h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; potassium phosphate; bis(dibenzylideneacetone)-palladium(0) In toluene at 110℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent; Inert atmosphere; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 12h; | 95% |
With copper(l) iodide; potassium carbonate; dimethylbiguanide In acetonitrile at 20 - 60℃; for 10.1667h; Ullmann Condensation; | 92% |
Conditions | Yield |
---|---|
With 1,1,1,5,5,5-hexafluoroacetylacetone; copper(II) ferrite; caesium carbonate In 1-methyl-pyrrolidin-2-one at 135℃; for 24h; Ullmann Condensation; Inert atmosphere; Schlenk technique; | 98% |
With potassium phosphate; 2-((di-adamantan-1-yl)phosphaneyl)-1-(2,6-diisopropylphenyl)-1H-imidazole; palladium diacetate In toluene at 100℃; for 10h; Inert atmosphere; | 97% |
With potassium fluoride; copper(II) ion; silica gel In dimethyl sulfoxide at 130℃; for 16h; Ullmann diaryl etherification; | 95% |
Conditions | Yield |
---|---|
With [Pd((η5-C5H5)Fe[(η5-C5H3)C(Me)=N(C6H4-4-Me)])(μ-Cl)]2; caesium carbonate In N,N-dimethyl-formamide at 100℃; for 2h; | 97% |
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 5h; Inert atmosphere; Schlenk technique; Green chemistry; | 93% |
With copper(II) acetate monohydrate; caesium carbonate In N,N-dimethyl-formamide at 100℃; for 4h; Inert atmosphere; Schlenk technique; | 90% |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide for 0.0833333h; Heating; microwave irradiation; | 96% |
With sodium carbonate In N,N-dimethyl-formamide for 24h; Reflux; | 94% |
With cesium fluoride/clinoptilolite In dimethyl sulfoxide at 110℃; for 0.5h; Ullmann Condensation; | 92% |
4-cyanophenol
triphenylsulfonium trifluoromethanesulfonate
4-phenoxybenzonitrile
Conditions | Yield |
---|---|
With cesium hydroxide In 1,4-dioxane at 50℃; for 24h; Inert atmosphere; Glovebox; | 94% |
Conditions | Yield |
---|---|
With potassium fluoride; 4,4'-dimethyl-2,2'-bipyridines; trifluoroacetic acid; sodium iodide; nickel dichloride; zinc In N,N-dimethyl acetamide at 60℃; for 36h; | 94% |
Conditions | Yield |
---|---|
With dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium; sodium carbonate In 1-methyl-pyrrolidin-2-one at 140℃; for 6h; Inert atmosphere; | 93% |
4-phenoxybenzaldehyde oxime
4-phenoxybenzonitrile
Conditions | Yield |
---|---|
With 4-nitro-1-((trifluoromethyl)sulfonyl)-1H-imidazole; triethylamine In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; | 92% |
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MF: C13H9NO
MW: 195.22
Density: 1.17 g/cm3
Flash Point: >230 °F
Melting Point: 42-46 °C(lit.)
Index of Refraction: 1.61
IUPAC Name: 4-phenoxybenzonitrile
Enthalpy of Vaporization: 56.75 kJ/mol
Boiling Point: 325.4 °C at 760 mmHg
Vapour Pressure: 0.00023 mmHg at 25°C
Product Categories: blocks ; Carboxes ; Aromatic Ethers ; Aromatic Nitriles ; C10 to C27 ; Cyanides/Nitriles ; Nitrogen Compounds
Synonyms: 4-Cyanodiphenyl ether ; 4-Phenoxybenzenecarbonitrile ; 4-Phenoxybenzonitrile (3096-81-9)
Following is the molecular structure of 4-Phenoxybenzonitrile (CAS NO.3096-81-9):
Safety Information of 4-Phenoxybenzonitrile (CAS NO.3096-81-9):
Hazard Codes: XnXi
Risk Statements: 20/21/22
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III