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| CAS No.: | 1443-80-7 |
|---|---|
| Name: | 4-ACETYLBENZONITRILE |
| Article Data: | 276 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO |
| Molecular Weight: | 145.161 |
| Synonyms: | Benzonitrile,p-acetyl- (6CI,7CI,8CI);1-(4-Cyanophenyl)ethanone;1-Acetyl-4-benzonitrile;4-Cyanoacetophenone;4-Cyanophenyl methyl ketone;Methyl p-cyanophenyl ketone;p-Acetylbenzonitrile;p-Cyanophenyl methyl ketone; |
| EINECS: | 215-885-0 |
| Density: | 1.11 g/cm3 |
| Melting Point: | 56-59 ºC(lit.) |
| Boiling Point: | 293.3 ºC at 760 mmHg |
| Flash Point: | 131.2 ºC |
| Solubility: | Soluble in chloroform. Insoluble in water. |
| Appearance: | slightly yellow solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26-22 |
| PSA: | 40.86000 |
| LogP: | 1.76088 |
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- 20099-89-2
4-Cyanophenacyl bromide
- 1443-80-7
4-cyanophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Irradiation; | 100% |
| With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ;; | 100% |
| With ammonium chloride; zinc In ethanol at 80℃; for 0.00833333h; microwave irradiation; | 99% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; tetrabutylammomium bromide In water at 170℃; under 10343.2 Torr; for 0.05h; microwave irradiation; | 99% |
| With sodium tetrahydroborate; zinc(II) chloride; Na2{PdCl2(Ph2P(m-C6H4SO3))2} In n-heptane; water for 1h; Heating; | 91% |
| Conditions | Yield |
|---|---|
| In 1-methyl-pyrrolidin-2-one; water at 200℃; under 10343 Torr; for 0.166667h; microwave irradiation; | 99% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In water at 170℃; under 10343.2 Torr; for 0.05h; microwave irradiation; | 99% |
| Conditions | Yield |
|---|---|
| With [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate In tetrahydrofuran; water at 20℃; for 18h; Inert atmosphere; | 99% |
| With 1,1'-bis-(diphenylphosphino)ferrocene; palladium 10% on activated carbon; zinc(II) formate dihydrate In N,N-dimethyl acetamide at 100℃; for 12h; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h; | 99% |
- 52695-39-3
4-oxiran-2-ylbenzonitrile
- 1443-80-7
4-cyanophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; copper(II) choride dihydrate In toluene at 80℃; for 24h; Meinwald Rearrangement; Inert atmosphere; | 99% |
- 99-91-2
para-chloroacetophenone
- 75-86-5
2-hydroxy-2-methylpropanenitrile
- 1443-80-7
4-cyanophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With [Pd(cinnamyl)Cl]2; N-ethyl-N,N-diisopropylamine; XPhos In isopropyl alcohol at 80℃; for 2h; Inert atmosphere; | 98% |
| With N,N,N,N,-tetramethylethylenediamine; 1,5-bis-(diphenylphosphino)pentane; sodium carbonate; palladium diacetate In N,N-dimethyl acetamide at 140℃; for 21h; | 89 % Chromat. |
| Conditions | Yield |
|---|---|
| With palladium diacetate; PS-triphenylphosphine In tetrahydrofuran at 120℃; for 1.5h; | 98% |
| Conditions | Yield |
|---|---|
| With potassium phosphate tribasic trihydrate; C38H28O4P2Pd In N,N-dimethyl-formamide at 130℃; for 12h; | 98% |
| With sodium carbonate In water; N,N-dimethyl-formamide at 120℃; for 10h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; | 96% |
| With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 5h; Schlenk technique; Inert atmosphere; | 95% |
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Chemistry
IUPAC Name: 4-Acetylbenzonitrile
Synonyms of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): 4-Acetylbenzonitrile ; EINECS 215-885-0 ; 4'-Cyanoacetophenone
CAS NO: 1443-80-7
Molecular Formula: C9H7NO
Molecular Weight: 145.158
Molecular Structure:
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Melting Point: 56-59 °C
Product Categories: Aromatic Nitriles ; Benzonitriles (Building Blocks for Liquid Crystals) ; Building Blocks for Liquid Crystals ; Functional Materials
Polar Surface Area: 40.86 Å2
Index of Refraction: 1.539
Molar Refractivity: 40.69 cm3
Molar Volume: 129.8 cm3
Surface Tension: 45 dyne/cm
Density of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): 1.11 g/cm3
Flash Point: 131.2 °C
Enthalpy of Vaporization: 53.28 kJ/mol
Boiling Point: 293.3 °C at 760 mmHg
Vapour Pressure: 0.00174 mmHg at 25°C
Safety Profile
Hazard Codes of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): 
Xn,Xi
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26-22
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22: Do not breathe dust.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup: III