Benzoyl cyanide supplier | CasNO.613-90-1

Name
Benzoyl cyanide
EINECS 210-359-7
CAS No. 613-90-1
Article Data151
CAS DataBase
Density 1.146 g/cm³
Solubility slihtly soluble, decomposes in water
Melting Point 28-31 °C(lit.)
Formula C₈H₅NO
Boiling Point 206 °C at 760 mmHg
Molecular Weight 131.134
Flash Point 78.4 °C
Transport Information
Appearance yellow to brown low melting mass
Safety 36/37/39-45-61-29-26
Risk Codes 25-50-34-24/25-20
Molecular Structure
Hazard Symbols T,N
Synonyms Glyoxylonitrile,phenyl- (6CI,7CI,8CI);2-(Oxo)-2-(phenyl)acetonitrile;Benzoyl cyanide;Benzoylnitrile;NSC 120506;NSC 401920;Phenyl glyoxonitrile;Phenylglyoxalic acidnitrile;Phenylglyoxylonitrile;a-Oxobenzeneacetonitrile;
PSA 40.86000
LogP 1.39288

Synthetic route

: 20913-05-7
(Benzoylmethylene)triphenylphosphorane

A: 613-90-1
benzoyl cyanide

B: (Benzoylmethylen)triphenylphosphoniumnitrat

Conditions

Conditions	Yield
With dinitrogen tetraoxide In tetrahydrofuran for 12h;	A 94% B 100%

: 6077-10-7
bis(phenylethynyl)mercury

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With N-oxo-N-nitrosoamine In diethyl ether at -78℃;	100%

: 532-28-5, 613-88-7
(RS)-mandelonitrile

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 48h;	97%
With silica gel supported bis(trimethylsilyl) chromate In dichloromethane at 25℃; for 1.5h;	96%
With tert.-butylhydroperoxide; tris(triphenylphosphine)ruthenium(II) chloride In benzene for 3h; Ambient temperature; Var. Ru complexes, oxidants and solvents;	87%

: 1074-12-0
phenylglyoxal hydrate

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With 1-amino-2-oxo-4,6-diphenylpyridine In toluene at 110℃; for 6h;	97%

: 25059-43-2
nitro-phenyl-acetonitrile

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With copper In benzene at 80℃; for 10h;	97%

: 773837-37-9
sodium cyanide

: 98-88-4
benzoyl chloride

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With water; Aliquat 336 In toluene at 60 - 85℃; for 5.5h; Temperature;	96.9%
Stage #1: sodium cyanide With tri(butyl)tetradecylphosphonium chloride; tetrabutylammomium bromide; copper(l) cyanide; copper(l) chloride In toluene for 3h; Reflux; Stage #2: benzoyl chloride In toluene at 100℃; for 6h; Temperature; Solvent; Reagent/catalyst;	93%
In ethyl acetate for 3h; Reflux;	92%
With Aliquat 336 In water at 7℃; for 0.0833333h;	95 %Chromat.
With tetrabutyl ammonium fluoride; zinc(II) iodide In o-xylene at 120℃; for 3h;	123.9 g

: 532-54-7
oxo-phenyl-acetaldehyde oxime

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With oxalyl dichloride; Triphenylphosphine oxide In ethyl acetate at 20℃; for 1h;	93%
With ammonium thiocyanate; fluorescein sodium salt In acetonitrile at 20℃; for 10h; Irradiation;	74%
With acetyl chloride at 20℃;
With acetic anhydride
With thionyl chloride

: 98-88-4
benzoyl chloride

: 65300-07-4
bis(triphenylphosphine)iminium cyanide

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
In dichloromethane at -10℃; for 0.0833333h;	92%

: 2179-92-2
tri-n-butyltin cyanide

: 98-88-4
benzoyl chloride

A: 613-90-1
benzoyl cyanide

B tributyltin chloride: tributyltin chloride

Conditions

Conditions	Yield
In neat (no solvent) at 75℃; for 0.333333h; Product distribution; cyanating of acyl chlorides;	A 91.5% B n/a
In neat (no solvent) at 75℃; for 0.333333h;	A 91.5 % Chromat. B n/a

...Expand

: 7677-24-9
trimethylsilyl cyanide

: 98-88-4
benzoyl chloride

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
tin(IV) chloride In dichloromethane for 2h; Ambient temperature;	91%
With titanium tetrachloride In dichloromethane at 20℃; for 2.5h;	90%
With zinc(II) iodide at 100℃; for 2h; Inert atmosphere; Neat (no solvent); neat (no solvent);	89%

: 98-88-4
benzoyl chloride

: potassium ferrocyanide

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With palladium diacetate at 150℃; for 4h; Green chemistry;	91%
at 160℃; for 3h;
In ethanol at 160℃; for 3h; Green chemistry;

: 420-04-2
CYANAMID

: 618-32-6
Benzoyl bromide

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With tin(ll) chloride In nitromethane at 242℃; for 4h; Concentration; Temperature;	86%

: 4,4,4-trifluoro-3,3-dihydroxy-2-(hydroxyimino)-1-phenylbutan-1-one

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With acetic anhydride In chloroform for 1h; Reagent/catalyst; Reflux;	85%

: 7677-24-9
trimethylsilyl cyanide

: 100-52-7
benzaldehyde

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With silica gel supported bis(trimethylsilyl) chromate In dichloromethane for 2h; Heating;	84%

: 591-50-4
iodobenzene

: 201230-82-2
carbon monoxide

: 151-50-8
potassium cyanide

A: 613-90-1
benzoyl cyanide

B: 100-47-0
benzonitrile

Conditions

Conditions	Yield
With iodophenylbis(triphenylphosphine)palladium In tetrahydrofuran at 100℃; under 15200 Torr; for 20h;	A 83.2% B 1.4 % Chromat.

...Expand

: 151-50-8
potassium cyanide

: 98-88-4
benzoyl chloride

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With AMBERLITE XAD-4 In water; benzene at 30℃; for 2h;	83%
With zinc(II) iodide; PEG400 In dichloromethane at 20℃; for 4.5h;	76%
With water In acetonitrile at 80℃; for 1.5h; effect of added water; various additives, various time, further aroyl chlorides;	68%
With water In acetonitrile at 80℃; for 1.5h;	68%

: 25438-37-3
phenyl(trimethylsiloxy)acetonitrile

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With N-Bromosuccinimide In pentane at 23℃; for 20h; Irradiation; indirect daylight irradiation;	82%

: 98-88-4
benzoyl chloride

Polymer-Supported Cyanide: Polymer-Supported Cyanide

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
In benzene for 4h; Heating;	82%

: 140-29-4
phenylacetonitrile

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 72h;	82%
With oxygen; copper diacetate In acetonitrile at 20 - 120℃; for 24h; Schlenk technique; Sealed tube;	38%
With oxygen; copper dichloride In toluene at 110℃; under 760.051 Torr; for 48h; Schlenk technique;	35%
With carbon tetrabromide; oxygen In water; ethyl acetate for 20h; Catalytic behavior; Solvent; Reagent/catalyst; Irradiation;
With tert.-butylhydroperoxide; C56H53ClN3P2Ru(1+)*F6P(1-) In benzene at 40℃; for 18h; Inert atmosphere;	51 %Spectr.

: 2154-71-4
bis-trifluoromethyl-aminooxyl

: 140-29-4
phenylacetonitrile

A: 613-90-1
benzoyl cyanide

B: 359-63-7
N,N-bis(trifluoromethyl)hydroxylamine

C: 6141-72-6
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)

D: 77228-18-3
α-(bistrifluoromethylamino-oxy)benzyl cyanide

Conditions

Conditions	Yield
at 20℃; for 0.5h; Mechanism; reactions with other benzyl derivatives (PhCH2Cl, PhCH2N3, and PhCH2OH);	A 4% B 41% C 5% D 81%
at 20℃; for 0.5h;	A 4% B 41% C 5% D 81%

...Expand

: 140-29-4
phenylacetonitrile

A: 613-90-1
benzoyl cyanide

B: 359-63-7
N,N-bis(trifluoromethyl)hydroxylamine

C: 6141-72-6
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)

D: 77228-18-3
α-(bistrifluoromethylamino-oxy)benzyl cyanide

Conditions

Conditions	Yield
With bis-trifluoromethyl-aminooxyl at 20℃; for 0.5h;	A 4% B 41% C 5% D 81%

...Expand

: 5798-79-8
bromo-phenyl-acetonitrile

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With silver nitrate In acetonitrile at 50℃; for 5h;	79%

: 98-88-4
benzoyl chloride

potassium hexacyanoferrate(II): potassium hexacyanoferrate(II)

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With PEG-400; potassium iodide; silver(I) iodide In N,N-dimethyl-formamide at 20℃; for 8h;	78%

: 3446-58-0
3-oxo-3-phenylpropanamide

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With tetraethylammonium bromide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 60℃; for 1.83333h;	75%

: 151-50-8
potassium cyanide

: 98-88-4
benzoyl chloride

A: 613-90-1
benzoyl cyanide

B: 5467-94-7
α-Benzoyloxy-α-phenylmalononitrile

Conditions

Conditions	Yield
In acetonitrile at 50℃; for 1h; ultrasound; Title compound not separated from byproducts;	A 73% B 15 % Chromat.
With sodium iodide In acetonitrile at 50℃; for 2h; ultrasound; Title compound not separated from byproducts;	A 88 % Chromat. B 4.2 % Chromat.

...Expand

: 81677-08-9
3-azido-5-phenyl-1,2,4-oxadiazole

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
at 550℃; under 0.07 Torr;	70%

: (E)-2-hydroxyimino-3-oxo-3-phenylpropanoic acid

: 613-90-1
benzoyl cyanide

Conditions

Conditions	Yield
With dmap; acetyl chloride for 0.5h;	70%

: 2154-71-4
bis-trifluoromethyl-aminooxyl

: 77228-18-3
α-(bistrifluoromethylamino-oxy)benzyl cyanide

A: 613-90-1
benzoyl cyanide

B: 359-63-7
N,N-bis(trifluoromethyl)hydroxylamine

C: 6141-72-6
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)

D: 77228-19-4
αα-bis(bistrifluoromethylamino-oxy)benzyl cyanide

Conditions

Conditions	Yield
at 20℃; for 5h;	A 66% B 45% C 60% D 28%

...Expand

: 77228-18-3
α-(bistrifluoromethylamino-oxy)benzyl cyanide

A: 613-90-1
benzoyl cyanide

B: 359-63-7
N,N-bis(trifluoromethyl)hydroxylamine

C: 6141-72-6
perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)

D: 77228-19-4
αα-bis(bistrifluoromethylamino-oxy)benzyl cyanide

Conditions

Conditions	Yield
With bis-trifluoromethyl-aminooxyl at 20℃; for 5h;	A 66% B 45% C 60% D 28%

...Expand

: 613-90-1
benzoyl cyanide

: 71572-20-8
α-(diethoxyphosphinyl)benzyl diethyl phosphite

: 4,5-dicyano-2-<α-(diethoxyphosphinyl)benzyloxy>-2,2-diethoxy-4,5-diphenyl-1,3,2λ5-dioxaphospholane

Conditions

Conditions	Yield
With amine hydrochlorides In diethyl ether at 0℃;	100%

: 613-90-1
benzoyl cyanide

: 115265-67-3
C11H16N2O9P(1-)*Li(1+)

: 115264-98-7
C25H24N2O11P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: C20H36N4O8P(1-)*Li(1+)

: C34H44N4O10P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: C21H36N6O7P(1-)*Li(1+)

: C35H44N6O9P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: C21H36N6O7P(1-)*Li(1+)

: C35H44N6O9P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: C21H36N6O7P(1-)*Li(1+)

: C35H44N6O9P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: C21H36N6O8P(1-)*Li(1+)

: C35H44N6O10P(1-)*Li(1+)

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 16h; Ambient temperature;	100%

: 613-90-1
benzoyl cyanide

: 69412-45-9
phosphorous acid 1-dimethoxyphosphoryl-ethyl ester dimethyl ester

: 4,5-dicyano-2-<α-(dimethoxyphosphinyl)ethoxy>-2,2-dimethoxy-4,5-diphenyl-1,3,2λ5-dioxaphospholane

Conditions

Conditions	Yield
With amine hydrochlorides In diethyl ether at 0℃;	100%

: 613-90-1
benzoyl cyanide

: 84923-87-5
α-(dipropoxyphosphinyl)benzyl dipropyl phosphite

: 84923-90-0
tetrapropyl (α-cyano-α,α'-oxydibenzylidene)bisphosphonate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 100 - 110℃; for 1.5h;	100%

: 613-90-1
benzoyl cyanide

: 100-47-0
benzonitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In benzene at 120℃; for 12h; Product distribution; other acyl cyanides, var. solvents, temp. and time;	100%
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 180℃; for 24h; Temperature; Glovebox; Inert atmosphere; Sealed tube;	95 %Chromat.

: 613-90-1
benzoyl cyanide

: 119-53-9
2-hydroxy-2-phenylacetophenone

: 1459-20-7
1,2-diphenyl-2-oxoethyl benzoate

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; Molecular sieve;	100%
In acetone at 65℃; for 7h;	70%

: 613-90-1
benzoyl cyanide

: 2043-61-0
cyclohexanecarbaldehyde

: 100007-62-3, 107485-34-7, 4354-47-6
2-cyclohexyl-2-hydroxyacetonitrile

Conditions

Conditions	Yield
With water In hexane; dimethyl sulfoxide at 20℃; for 24h;	100%

: 613-90-1
benzoyl cyanide

: 2595-05-3
Diacetone D-glucose

: 29474-73-5
(+)-3-deoxy-1,2:5,6-di-O-isopropylidene-α-D-allofuranos-3-yl benzoate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0℃;	100%
With triethylamine In acetonitrile at 20℃; for 15h;

: 613-90-1
benzoyl cyanide

: 16714-26-4
1-(2-azido-phenyl)-ethanone

: C15H9N5O2

Conditions

Conditions	Yield
Stage #1: 1-(2-azido-phenyl)-ethanone With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Stage #2: benzoyl cyanide In tetrahydrofuran for 1h; Stage #3: With 4-toluenesulfonyl azide; triethylamine In acetonitrile	100%
Stage #1: 1-(2-azido-phenyl)-ethanone With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: benzoyl cyanide In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #3: With 4-toluenesulfonyl azide; triethylamine In acetonitrile Inert atmosphere;	551 mg

: 613-90-1
benzoyl cyanide

: 14838-15-4
u-2-amino-1-phenylpropan-1-ol

: 4380-71-6, 5267-69-6, 5267-71-0, 38222-75-2, 38222-76-3, 126524-00-3, 134522-09-1
(1R*,2R*)-N-<(2-phenyl-2-hydroxy-1-methyl)ethyl>benzamide

Conditions

Conditions	Yield
In dichloromethane for 15h; Ambient temperature;	99.5%

: 5382-16-1
4-HYDROXYPIPERIDINE

: 613-90-1
benzoyl cyanide

: 80213-01-0
(4-hydroxy-1-piperidinyl)(phenyl)methanone

Conditions

Conditions	Yield
In dichloromethane at -10℃;	99%
In dichloromethane Ambient temperature;	95%

: 613-90-1
benzoyl cyanide

: 86626-07-5
6-dimethylamino-9-(3-benzyloxy-2-hydroxypropyl)purine

: 86626-08-6
9-(2-benzoyloxypropyl-3-benzyloxy)-6-dimethylaminopurine

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 1h; Ambient temperature;	99%

: 613-90-1
benzoyl cyanide

: 176299-96-0
4-methoxyphenyl 4,6-O-benzylidene-β-D-galactopyranoside

: 671194-39-1
4-methoxyphenyl 3-O-benzoyl-4,6-O-benzylidene-β-D-galactopyranoside

Conditions

Conditions	Yield
With dmap In dichloromethane at -78℃; for 4h; Molecular sieve; Inert atmosphere; regioselective reaction;	99%
With triethylamine In acetonitrile at 20℃; for 0.5h;	75%

: 613-90-1
benzoyl cyanide

: 107428-05-7
dimethyl 2,2-di(but-2-yn-1-yl)malonate

: 3-benzoyl-1,4-dimethyl-5,7-dihydro-[2]pyrindine-6,6-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In dichloromethane at 60℃; for 16h;	99%

: 613-90-1
benzoyl cyanide

: 27892-81-5
4,5-diphenyletheno-1,2,3-selenadiazole

: (4,5-diphenyl-1,2-selenazol-3-yl)(phenyl)methanone

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; (S,S)-2,3-O-isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane In 1,4-dioxane at 100℃; for 6h;	99%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; (S,S)-2,3-O-isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane In 1,4-dioxane at 100℃; for 6h;	99%

: 613-90-1
benzoyl cyanide

: 7250-70-6
1-(2-methylphenyl)piperidine

: 1-(2-methylphenyl)piperidine-2-carbonitrile

Conditions

Conditions	Yield
With oxygen; lithium carbonate In acetonitrile at 20℃; for 24h; Irradiation;	99%

: 613-90-1
benzoyl cyanide

: 7568-93-6
2-Amino-1-phenylethanol

: 34119-82-9
2-(benzoylamino)-1-phenylethanol

Conditions

Conditions	Yield
In dichloromethane for 15h; Ambient temperature;	98%

: 613-90-1
benzoyl cyanide

: 622-79-7
benzyl azide

: 120869-85-4
(1-benzyl-1H-tetrazol-5-yl)phenylketone

Conditions

Conditions	Yield
at 120℃; for 60h; Huisgen 1,3-dipolar cycloaddition;	98%
In acetonitrile at 100℃; under 7500600 Torr; for 25h;	90%
With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 100℃; for 85h;	50%

: 613-90-1
benzoyl cyanide

: 75348-12-8
1L-2,3,4-Tri-O-benzyl-1-C-hydroxymethyl-chiro-inositol

: 81712-79-0
1L-7-O-Benzoyl-2,3,4-tri-O-benzyl-1-C-hydroxymethyl-chiro-inositol

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -15℃; for 20h;	98%

: 613-90-1
benzoyl cyanide

: (3R,5R)-3-Hydroxymethyl-5-((E)-2-methoxy-vinyl)-piperidine-1-carboxylic acid benzyl ester

: 284482-56-0
(3R,5R)-3-Benzoyloxymethyl-5-((E)-2-methoxy-vinyl)-piperidine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Acylation;	98%

: 613-90-1
benzoyl cyanide

: 13735-81-4
1-styrenyloxytrimethylsilane

: 120-46-7
1,3-diphenylpropanedione

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran	98%
With tetrabutyl ammonium fluoride In tetrahydrofuran	98 % Spectr.
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 24h;

: 613-90-1
benzoyl cyanide

: 164145-69-1
1(S)-[(2R)-1,4-dioxaspiro[4.5]decanyl]-3-buten-1-ol

: 1197010-59-5
(2R,3S)-1,2-O-cyclohexylidene-3-benzoyloxy-5-hexene

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 5h;	98%

: 613-90-1
benzoyl cyanide

: 2446-83-5
di-isopropyl azodicarboxylate

: 1201947-31-0
diisopropyl (Z)-2-(cyano(phenyl)methylene)hydrazine-1,1-dicarboxylate

Conditions

Conditions	Yield
With triphenylphosphine In toluene at 90℃; for 1h; Mitsunobu reaction; Inert atmosphere;	98%

Benzoyl cyanide Chemical Properties

Molecular Formula: C₈H₅NO
Molar mass: 131.1314 g/mol
EINECS: 210-359-7
Density: 1.146 g/cm³
Flash Point: 78.4 °C
Index of Refraction: 1.545
Boiling Point: 206 °C at 760 mmHg
Vapour Pressure: 0.243 mmHg at 25°C
Melting point: 28-31 °C(lit.)
Water solubility: slihtly soluble, decomposes
Appearance: Yellow to brown low melting mass
Structure of Benzoyl cyanide (613-90-1):

IUPAC Name: Benzoyl cyanide
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: C1=CC=C(C=C1)C(=O)C#N
InChI: InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N

Benzoyl cyanide Production

Mixed Cuprous cyanide with the purified benzoyl chloride in the heating oil bath and keep 1.5h on the temperature of 220-230 °C, keep, then simply raise the oil bath's temperature for fractionation, collecting fractions on 208-209 °C.

Benzoyl cyanide Toxicity Data With Reference

Carcinogenicity of Benzoyl cyanide (613-90-1) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Benzoyl cyanide Safety Profile

Hazard Codes: T,N
Risk Statements:
20: Harmful by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
34: Causes burns
50: Very Toxic to aquatic organisms
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
29: Do not empty into drains
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61: Avoid release to the environment. Refer to special instructions safety data sheet

Benzoyl cyanide Specification

Benzoyl cyanide (613-90-1) also can be called for alpha-Oxobenzeneacetonitrile ; .alpha.-Oxobenzeneacetonitrile ; Glyoxylonitrile, phenyl- ; benzeneacetonitrile, alpha-oxo- ; Benzeneacetonitrile, .alpha.-oxo- ; Oxo(phenyl)acetonitrile .It can be used as intermediates of herbicide Metamitron and organic synthesis, and, can be derived by the reaction of benzoyl chloride with cuprous cyanide .
Benzoyl cyanide (613-90-1) is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen.And as soon as to get medical aid.Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Benzoyl cyanide (613-90-1) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents,ignition sources, and you must not take it with strong reducing agents, strong oxidizing agents, strong bases, strong acids.And it should not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: cyanide fumes, nitriles,carbon dioxide,carbon monoxide,nitrogen oxides.

Product Name

Benzoyl cyanide

Synthetic route

Benzoyl cyanide Chemical Properties

Benzoyl cyanide Production

Benzoyl cyanide Toxicity Data With Reference

Benzoyl cyanide Safety Profile

Benzoyl cyanide Specification

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