4-Aminobenzonitrile supplier

Name
4-Aminobenzonitrile
EINECS 212-850-1
CAS No. 873-74-5
Article Data402
CAS DataBase
Density 1.14 g/cm³
Solubility Soluble in ethyl acetate, dichloromethane and chloroform. Insoluble in water.
Melting Point 83-85 °C(lit.)
Formula C₇H₆N₂
Boiling Point 286.5 °C at 760 mmHg
Molecular Weight 118.138
Flash Point 127.1 °C
Transport Information UN 2811 6.1/PG 3
Appearance off-white or beige to orange-yellow crystalline
Safety 26-36
Risk Codes 22-36-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Aniline, p-cyano-;benzonitrile, 4-amino-;1-Amino-4-cyanobenzene;Benzonitrile, p-amino- (8CI);4-14-00-01158 (Beilstein Handbook Reference);p-Cyanoaniline;Benzonitrile, p-amino-;4-Cyanoaniline;
PSA 49.81000
LogP 1.72168

Synthetic route

: 1321455-55-3
4-(tert-butyldimethylsilylamino)benzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With silica gel In ethanol; water at 20℃; for 2h;	100%

: 2-oxo-2-phenylethyl (4-cyanophenyl)carbamate

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 2h; Sealed tube; Irradiation; Inert atmosphere;	100%

: 619-72-7
4-nitrobenzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With trimethylamine-borane; palladium hydroxide - carbon In methanol for 1.5h; Heating;	99%
With 1-butyl-3-methylimidazolium Tetrafluoroborate; tin(ll) chloride at 20℃; for 0.25h; sonification;	99%
With 1,1,3,3-Tetramethyldisiloxane In ethanol at 20℃; for 1h; Inert atmosphere; Sonication; chemoselective reaction;	99%

: 18523-41-6
4-azidobenzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With D-glucose; potassium hydroxide In water at 85℃; for 0.166667h; Reagent/catalyst; Temperature; Solvent; Green chemistry; chemoselective reaction;	99%
With triethylsilane; indium(III) chloride In acetonitrile at 0℃; for 0.25h;	97%
With methyltriphenylphosphonium tetrahydroborate In dichloromethane for 0.333333h; Reduction; Heating;	96%

: 623-00-7
4-bromobenzenecarbonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
Stage #1: 4-bromobenzenecarbonitrile With 2,2,2-trifluoroacetamide; potassium carbonate; N,N`-dimethylethylenediamine; copper(l) iodide In 1,4-dioxane at 75℃; Stage #2: With methanol In 1,4-dioxane at 75℃; Further stages.;	99%
Stage #1: 4-bromobenzenecarbonitrile With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; lithium chloride; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 50℃; for 0.75h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether	97%
With ammonium hydroxide; copper(l) iodide; N,N-dimethylethylenediamine In dimethyl sulfoxide at 130℃; for 12h; Sealed tube; Inert atmosphere;	97%

: 3058-39-7
4-iodobenzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With copper acetylacetonate; ammonium hydroxide; 2,2,6,6-tetramethylheptane-3,5-dione; caesium carbonate In water; N,N-dimethyl-formamide at 90℃; for 24h; Inert atmosphere;	99%
With copper(l) iodide; ascorbic acid In ammonia at 25℃; for 18h; liquid NH3;	98%
With copper(ll) sulfate pentahydrate; ammonium hydroxide In PEG1000-DIL; methyl cyclohexane at 60℃; for 4h;	97%

: 773837-37-9
sodium cyanide

: 106-40-1
4-bromo-aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h;	99%

: N-(2,2,2-trichloroethoxycarbonyl)-4-aminobenzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol for 3h; Heating;	98%

: 540-37-4
p-aminoiodobenzene

: potassium ferrocyanide

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With copper(l) iodide; sodium carbonate In N,N-dimethyl acetamide for 2h; Reflux;	98%
With triethylamine In water; N,N-dimethyl-formamide Catalytic behavior; Sealed tube; Inert atmosphere;	80%
With palladium diacetate; sodium carbonate; isopropyl alcohol In 1-methyl-pyrrolidin-2-one; water at 140℃; for 0.7h; open-air conditions;	72%

: 64-17-5
ethanol

: 51029-20-0
1-(4-cyanophenyl)-3-methyltriazene

A: 540-67-0
ethyl methyl ether

B: 873-74-5
4-Aminobenzonitrile

C N2: N2

Conditions

Conditions	Yield
copper(II) ion at 20℃; Kinetics; Mechanism; effect of added water on the velocity constant, other temperatures up to 40 deg C, other catalysts Fe(2+), Zn(2+);	A n/a B 97% C n/a

...Expand

: 623-03-0
4-Cyanochlorobenzene

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
Stage #1: 4-Cyanochlorobenzene With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; lithium chloride; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 90℃; for 6h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether	97%
With ammonium sulfate; bis(1,5-cyclooctadiene)nickel (0); sodium t-butanolate at 100 - 110℃; for 12h;	92%
With ammonium hydroxide; potassium phosphate In dimethyl sulfoxide at 80℃; UV-irradiation;	90%

: 4403-71-8
(4-aminomethyl)aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With C68H64Cl2N6P2Ru2(4+)2F6P(1-)2Cl(1-); caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; Green chemistry;	96.3%
With [Ru(p-cymene)(pzH-NP)(Cl)]Cl; potassium tert-butylate In toluene at 70℃; for 24h; Schlenk technique; Inert atmosphere;	80%
With dichloro(1,5-cyclooctadiene)ruthenium(II); hexamethylenetetramine In toluene for 24h; Schlenk technique; Inert atmosphere; Reflux;	74%
With dichloro(benzene)ruthenium(II) dimer; hexamethylenetetramine In toluene for 24h; Schlenk technique; Inert atmosphere; Reflux; Green chemistry;	42%
With rhodium(III) chloride hydrate; C13H19N4(1+)*Br(1-) In toluene at 110℃; for 24h; Schlenk technique; Inert atmosphere;	42%

: 557-19-7
nickel cyanide

: 106-40-1
4-bromo-aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one; water at 200℃; under 10343 Torr; for 0.166667h; microwave irradiation;	95%

: 4-({[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phenylmethylene}amino)benzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran at 20℃;	95%

: 1338209-66-7
N-(4-cyanophenyl)-2-methylpropane-2-sulfinamide

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
Stage #1: N-(4-cyanophenyl)-2-methylpropane-2-sulfinamide With hydrogenchloride In 1,4-dioxane at 20℃; for 0.25h; Inert atmosphere; Stage #2: With sodium hydrogencarbonate In 1,4-dioxane; water Inert atmosphere;	95%

: potassium hexacyanoferrate(II)

: 540-37-4
p-aminoiodobenzene

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With triethylamine In water; N,N-dimethyl-formamide at 100℃; under 760.051 Torr; for 14h;	95%

: 540-37-4
p-aminoiodobenzene

K4[Fe(CN)6]: K4[Fe(CN)6]

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium fluoride; palladium diacetate In water at 150℃; for 0.333333h;	94%

: 557-21-1
dicyanozinc

: 106-47-8
4-chloro-aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With racemic 2-di-tert-butylphosphino-1,1'-binaphthyl; palladium(II) trifluoroacetate; zinc In N,N-dimethyl acetamide at 95℃; for 14h;	93%
With sulfuric acid; palladium diacetate; zinc; XPhos In 2,4-dichlorophenoxyacetic acid dimethylamine at 120℃; for 2h; Inert atmosphere;	60 %Chromat.

: 2835-68-9
4-aminobenzamide

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With phenylsilane; tetrabutyl ammonium fluoride In tetrahydrofuran; toluene at 100℃; for 0.5h; Inert atmosphere;	93%
With thionyl chloride In toluene at 90 - 100℃; Temperature; Solvent;	92.1%
With Triethoxysilane; [(2,5-F2C6H2-CH=N-C10H6)Co(III)(H)(PMe3)2] In tetrahydrofuran at 60℃; for 24h; Schlenk technique;	91%

: potassiumhexacyanoferrate(II) trihydrate

: 106-40-1
4-bromo-aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); 1,8-diazabicyclo[5.4.0]undec-7-ene In water; tert-butyl alcohol at 85℃; for 6h; Inert atmosphere;	93%
With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 12h; Schlenk technique; Inert atmosphere;	90%
With sodium carbonate In water; N,N-dimethyl-formamide at 120℃; for 15h;	88%
With palladium diacetate; sodium carbonate; isopropyl alcohol In water; N,N-dimethyl-formamide at 140℃; for 5h; open-air conditions;	75%
With C30H27FeN2OP; palladium diacetate; sodium carbonate In 1,4-dioxane; water at 100℃; for 3h; Inert atmosphere; Schlenk technique;

: 557-21-1
zinc(II) cyanide

: 540-37-4
p-aminoiodobenzene

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
palladium diacetate; PS-triphenylphosphine In N,N-dimethyl-formamide at 140℃; for 0.833333h; Irradiation; microwave;	92%

: 623-03-0
4-Cyanochlorobenzene

A: 36602-05-8
4,4’-dicyanodipehnylamine

B: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With C46H71Cl3N2Pd; ammonia; sodium t-butanolate In 1,4-dioxane at 80℃; for 2h; Inert atmosphere; Schlenk technique;	A n/a B 92%

: 126747-14-6
4-cyanophenylboronic acid

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; ammonia; sodium hydroxide In water at 20℃; under 760.051 Torr; for 5h;	92%
With caesium carbonate; O-(2,4-dinitrophenyl)hydroxylamine In acetonitrile at 50℃; for 24h; Inert atmosphere;	88%
With N-Bromosuccinimide; CYANAMID; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 1h; chemoselective reaction;	85%

: 2498-50-2, 7761-72-0, 15724-26-2
4-aminobenzamidine monohydrochloride

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 4h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	92%

: 556-18-3
4-aminobenzaldehyde

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With ammonium sulfate; sodium carbonate; sulfur In dimethyl sulfoxide at 120℃; for 10h; Sealed tube;	91%

: potassiumhexacyanoferrate(II) trihydrate

: 540-37-4
p-aminoiodobenzene

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 120℃; for 12h; Inert atmosphere;	90%
With sodium carbonate In water; N,N-dimethyl-formamide at 120℃; for 15h;	90%
With tetrabutylammomium bromide; copper(II) acetate monohydrate In water at 180℃; for 22h;	69%
With potassium carbonate In N,N-dimethyl acetamide at 120℃; for 5h;	65%

: 122045-07-2, 21190-28-3
4,4'-(diazene-1,2-diyl)dibenzonitrile

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With perchloric acid In isopropyl alcohol; acetonitrile at 25℃; for 0.666667h; pH=2; Inert atmosphere; Irradiation;	90%
With zinc In methanol at 25℃; for 0.216667h; Inert atmosphere;	89%
With magnesium In methanol at 25℃; for 0.283333h; Inert atmosphere;	88%

: 557-21-1
zinc(II) cyanide

: 106-40-1
4-bromo-aniline

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium 10% on activated carbon; zinc(II) formate dihydrate In N,N-dimethyl acetamide at 115℃; for 12h; Inert atmosphere;	90%

: 183588-85-4
C14H14N4O2

: 873-74-5
4-Aminobenzonitrile

Conditions

Conditions	Yield
With diphosphorus tetraiodide In dichloromethane at 20℃; for 2h; Beckmann Rearrangement;	89%

: 873-74-5
4-Aminobenzonitrile

: 2835-68-9
4-aminobenzamide

Conditions

Conditions	Yield
With C18H57O3P6Ru2(1+)C6H5O(1-)C6H6O; water In 1,4-dioxane for 48h; Time; Sealed tube; Inert atmosphere; Schlenk technique;	100%
With [RuH(tBu-PNP(-))(CO)]; water In tert-butyl alcohol at 80℃; for 16h;	99%
With Amberlyst A-26 (OH- form); dihydrogen peroxide In methanol at 20℃; for 3h; Hydrolysis;	97%

: 873-74-5
4-Aminobenzonitrile

: 4403-71-8
(4-aminomethyl)aniline

Conditions

Conditions	Yield
With Zr12(μ3-O)5[(μ3-O)CoCl]8[(μ2-O)2(μ3-O)CoCl]3Li3(triphenyldicarboxylate)9; hydrogen In toluene at 110℃; under 30003 Torr; for 42h; Catalytic behavior; Inert atmosphere; Schlenk technique;	100%
With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); potassium tert-butylate; hydrogen bromide; hydrogen; 2-((di-iso-propylphosphino)methyl)-1-methyl-1H-imidazole In tetrahydrofuran; water; acetone; toluene at 80℃; under 37503.8 Torr; for 5.5h; Inert atmosphere; Schlenk technique; Autoclave;	99%
With ammonia; hydrogen In water; isopropyl alcohol at 80℃; under 15001.5 Torr; for 24h; Autoclave;	99%

: 98-59-9
p-toluenesulfonyl chloride

: 873-74-5
4-Aminobenzonitrile

: 56768-53-7
N-(4-cyanophenyl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 4℃;	100%
In pyridine; acetonitrile at 20℃; for 16h;	98%
With dendritic fibrous nanosilica KCC-1 3-aminopropyl-functionalized supported on Fe3O4 magnetic nanocatalyst In water at 20℃; for 1h; Green chemistry;	86%

: 873-74-5
4-Aminobenzonitrile

: 51471-45-5
N1-(6-chloro-3,4-dihydro-5-nitro-4-oxopyrimidine-2-yl)acetamide

: 391249-11-9
N1-[4-(4-cyanoanilino)-5-nitro-6-oxo-1,6-dihydro-2-pyrimidinyl]acetamide

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran at 20℃;	100%

: 15568-85-1
5-methoxymethylene-2,2-dimethyl-1,3-dioxane-4,6-dione

: 873-74-5
4-Aminobenzonitrile

: 219763-81-2
4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-benzonitrile

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.25h;	100%
In N,N-dimethyl-formamide for 2h; Heating;

: 50-00-0
formaldehyd

: 110-60-1
1,4-diaminobutane

: 873-74-5
4-Aminobenzonitrile

: 1-(p-cyanophenyl)-2-[3-{3-[2-(p-cyanophenyl)-1-diazenyl]-1,3-diazepan-1-ylnmethyl}-1,3-diazepan-1-yl]-1-diazene

Conditions

Conditions	Yield
Stage #1: 4-Aminobenzonitrile With hydrogenchloride; sodium nitrite at 0 - 5℃; for 0.5h; Stage #2: formaldehyd; 1,4-diaminobutane With sodium hydrogencarbonate In water for 0.5h; cooling;	100%

...Expand

: 3282-30-2
pivaloyl chloride

: 873-74-5
4-Aminobenzonitrile

: 149934-51-0
N-(4-cyanophenyl)-2,2-dimethylpropanamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	100%
With sodium hydroxide In diethyl ether; water at 0 - 25℃; for 4.5h;
With triethylamine In dichloromethane at 0 - 20℃;
With triethylamine In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere;

: 873-74-5
4-Aminobenzonitrile

: 100-51-6
benzyl alcohol

: 4-(N-benzylamino)benzamide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; Py2NPiPr2; potassium tert-butylate In tetrahydrofuran; diethylene glycol dimethyl ether at 110℃;	100%

: 50-00-0
formaldehyd

: 873-74-5
4-Aminobenzonitrile

: 1197-19-9
4-cyano-N,N-dimethylaniline

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid at 0 - 65℃; for 8.25h;	100%
With sodium cyanoborohydride; acetic acid In tetrahydrofuran at 23 - 50℃; for 18h; Inert atmosphere;	65%
With sodium cyanoborohydride; acetic acid Inert atmosphere;
With sodium cyanoborohydride; acetic acid at 20℃; Inert atmosphere;
Stage #1: formaldehyd; 4-Aminobenzonitrile With acetic acid for 0.25h; Inert atmosphere; Stage #2: With sodium cyanoborohydride at 20℃; Inert atmosphere;

: 463-71-8
thiophosgene

: 1267986-38-8
4-Chlorodeacetylcolchicine

: 873-74-5
4-Aminobenzonitrile

: 1267990-85-1
4-chloro-N-[(4-cyanophenyl)thiocarbamoyl]deacetyl colchicine

Conditions

Conditions	Yield
Stage #1: thiophosgene; 4-Aminobenzonitrile With triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere; Stage #2: 4-Chlorodeacetylcolchicine In dichloromethane at 0 - 20℃; Inert atmosphere;	100%
Stage #1: thiophosgene; 4-Aminobenzonitrile With triethylamine In dichloromethane for 2h; Cooling with ice; Inert atmosphere; Stage #2: 4-Chlorodeacetylcolchicine In dichloromethane at 20℃;	100%

...Expand

: 873-74-5
4-Aminobenzonitrile

: 27561-62-2
1-(cyclohexylcarbonyl)piperazine

: C18H23N5O

Conditions

Conditions	Yield
Stage #1: 4-Aminobenzonitrile With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 0.5h; Heating; Stage #2: 1-(cyclohexylcarbonyl)piperazine In water at 0 - 5℃; for 0.5h;	100%

: 873-74-5
4-Aminobenzonitrile

: 2815-34-1, 1119702-25-8
2,5-dimethyl-piperazine

: C20H20N8

Conditions

Conditions	Yield
Stage #1: 4-Aminobenzonitrile With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 0.5h; Stage #2: 2,5-dimethyl-piperazine In water for 0.5h;	100%

: 2-chloro-4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)oxy)pyridine

: 873-74-5
4-Aminobenzonitrile

: 4-[[4-(1-cyclopropyl-3-tetrahydropyran-4-yl-pyrazol-4-yl)oxy-2-pyridyl]amino]benzonitrile

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 80 - 100℃; for 168h; Inert atmosphere; Sealed tube;	100%

: 4160-82-1
3,3-dimethylglutaric anhydride

: 873-74-5
4-Aminobenzonitrile

: 694436-82-3
5-[(4-cyanophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid

Conditions

Conditions	Yield
In tetrahydrofuran Reflux;	100%

: 552-89-6
2-nitro-benzaldehyde

: 873-74-5
4-Aminobenzonitrile

: 4-(2-nitrobenzylideneamino)benzonitrile

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; Green chemistry;	99.3%

: 64-18-6
formic acid

: 873-74-5
4-Aminobenzonitrile

: 6321-94-4
N-(4-cyanophenyl)formamide

Conditions

Conditions	Yield
at 60℃; for 15h;	99%
at 150℃; for 3h;	97%
With zinc at 70℃; for 12h;	82%

: 873-74-5
4-Aminobenzonitrile

: 46047-18-1
4-(1H-tetrazol-5-yl)aniline

Conditions

Conditions	Yield
With sodium azide; gold In N,N-dimethyl-formamide at 80℃; for 1h; Reagent/catalyst; Inert atmosphere;	99%
With hydrogenchloride; sodium azide; water; triethylamine hydrochloride In toluene at 95 - 99℃; for 23h;	92%
With sodium azide; triethylamine hydrochloride In toluene at 95 - 100℃; for 24h;	90%

: 105-07-7
4-cyanobenzaldehyde

: 873-74-5
4-Aminobenzonitrile

: 69622-68-0
(E)-4-([4-cyanobenzylidene]amino)benzonitrile

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; Solvent; Green chemistry;	99%
With trifluoroacetic acid In ethanol at 20℃; for 16h;	95%
In ethanol Heating;
Heating;

: 107-18-6
allyl alcohol

: 873-74-5
4-Aminobenzonitrile

: 10282-33-4
4-cyano-N-(prop-2-enyl)benzenamine

Conditions

Conditions	Yield
With titanium(IV) isopropylate; MS 4 Angstroem; palladium diacetate; triphenylphosphine In benzene at 80℃; for 3h; Alkylation; N-allylation;	99%

: 104-87-0
4-methyl-benzaldehyde

: 873-74-5
4-Aminobenzonitrile

: 690247-92-8
4-((4-methylbenzyl)amino)benzonitrile

Conditions

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In ethanol at 20℃;	99%
With hydrogen; 5%-palladium/activated carbon In ethanol at 20℃;	99%

: 2100-42-7
2-chloro-1,4-dimethoxybenzene

: 873-74-5
4-Aminobenzonitrile

: 1019536-18-5
4-(2,5-dimethoxyphenylamino)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate; XPhos palladium(II) phenethylamine chloride In tert-butyl alcohol at 110℃; for 1h;	99%

: 530-62-1
1,1'-carbonyldiimidazole

: 873-74-5
4-Aminobenzonitrile

: N-(4-cyanophenyl)-1H-imidazole-1-carboxamide 1H-imidazole complex (1:1)

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃; for 3h; Inert atmosphere;	99%

4-Aminobenzonitrile Chemical Properties

Molecular Structure of 4-Cyanoaniline (CAS NO.873-74-5):

Molecular Formula: C₇H₆N₂
Molecular Weight: 118.1359
IUPAC Name: 4-Aminobenzonitrile
Synonyms of 4-Cyanoaniline (CAS NO.873-74-5): 1-Amino-4-cyanobenzene ; 4-14-00-01158 (Beilstein Handbook Reference) ; 4-Aminobenzonitrile ; AI3-24185 ; Aniline, p-cyano- ; BRN 0774507 ; Benzonitrile, 4-amino- ; EINECS 212-850-1 ; NSC 7625 ; p-Aminobenzonitrile ; p-Cyanoaniline ; Benzonitrile, p-amino- (8CI)
CAS NO: 873-74-5
Classification Code: Drug / Therapeutic Agent ; Mutation data ; Skin / Eye Irritant
Melting point: 83-85 °C
Index of Refraction: 1.59
Molar Refractivity: 34.93 cm³
Molar Volume: 103.4 cm³
Surface Tension: 54.3 dyne/cm
Density: 1.14 g/cm³
Flash Point: 127.1 °C
Enthalpy of Vaporization: 52.56 kJ/mol
Boiling Point: 286.5 °C at 760 mmHg
Vapour Pressure: 0.00263 mmHg at 25°C

4-Aminobenzonitrile Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	23700ug/kg (23.7mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse	LD50	intraperitoneal	155mg/kg (155mg/kg)		Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.
mouse	LD50	oral	168mg/kg (168mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0555306,
quail	LD50	oral	23700ug/kg (23.7mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat	LD50	oral	283mg/kg (283mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0555306,

4-Aminobenzonitrile Consensus Reports

EPA Genetic Toxicology Program. 4-Cyanoaniline (CAS NO.873-74-5) is reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

4-Aminobenzonitrile Safety Profile

Hazard Codes of 4-Cyanoaniline (CAS NO.873-74-5): 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: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: BX2320000
Hazard Note: Harmful
TSCA: T
HazardClass: 6.1
PackingGroup: III
HS Code: 29269095

4-Aminobenzonitrile Specification

First Aid Measures of 4-Cyanoaniline (CAS NO.873-74-5)
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. If irritation develops, get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician: Treat symptomatically and supportively.

Product Name

4-Aminobenzonitrile

Synthetic route

4-Aminobenzonitrile Chemical Properties

4-Aminobenzonitrile Toxicity Data With Reference

4-Aminobenzonitrile Consensus Reports

4-Aminobenzonitrile Safety Profile

4-Aminobenzonitrile Specification

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