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Cas Database

Name	4'-Cyanoacetophenone	EINECS	215-885-0
CAS No.	1443-80-7	Density	1.11 g/cm³
PSA	40.86000	LogP	1.76088
Solubility	Soluble in chloroform. Insoluble in water.	Melting Point	56-59 ºC(lit.)
Formula	C₉H₇NO	Boiling Point	293.3 ºC at 760 mmHg
Molecular Weight	145.161	Flash Point	131.2 ºC
Transport Information	N/A	Appearance	slightly yellow solid
Safety	36/37/39-26-22	Risk Codes	36/37/38-20/21/22
Molecular Structure		Hazard Symbols	Xn,Xi
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;	Article Data	276

4'-Cyanoacetophenone Synthetic route

: 20099-89-2
4-Cyanophenacyl bromide

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

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%

: 13329-40-3
4-Iodoacetophenone

: 143-33-9
sodium cyanide

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

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%

: 557-19-7
nickel cyanide

: 99-90-1
para-bromoacetophenone

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one; water at 200℃; under 10343 Torr; for 0.166667h; microwave irradiation;	99%

: 13329-40-3
4-Iodoacetophenone

: copper(l) cyanide

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

Conditions	Yield
With tetrabutylammomium bromide In water at 170℃; under 10343.2 Torr; for 0.05h; microwave irradiation;	99%

: 557-21-1
zinc(II) cyanide

: 99-90-1
para-bromoacetophenone

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

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%

: 773837-37-9
sodium cyanide

: 99-90-1
para-bromoacetophenone

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

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

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

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.

: 69497-83-2
4-acetylphenyl mesylate

: 557-21-1
dicyanozinc

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

Conditions	Yield
With palladium diacetate; PS-triphenylphosphine In tetrahydrofuran at 120℃; for 1.5h;	98%

: potassiumhexacyanoferrate(II) trihydrate

: 99-90-1
para-bromoacetophenone

: 1443-80-7
4-cyanophenyl methyl ketone

Conditions

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%

4'-Cyanoacetophenone Chemical Properties

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:

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

4'-Cyanoacetophenone Safety Profile

Hazard Codes of Benzonitrile, 4-acetyl- (CAS NO.1443-80-7): Harmful 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

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