Phenyl isocyanate supplier

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Name
Phenyl isocyanate
EINECS 203-137-6
CAS No. 103-71-9
Article Data460
CAS DataBase
Density 1 g/cm³
Solubility Decomposes in water
Melting Point -31.3 °C
Formula C₇H₅NO
Boiling Point 162-163 °C(lit.)
Molecular Weight 119.123
Flash Point 132 °F
Transport Information UN 2487 6.1/PG 1
Appearance Colourless to light yellow liquid with an acrid odour
Safety 26-28A-38-45
Risk Codes 22-26-36/37/38-42
Molecular Structure
Hazard Symbols T+
Synonyms Benzene, isocyanato-;Carbanil;Isocyanatobenzene;Mondur P;Phenyl carbonimide;Fenylisokyanat;Isocyanic acid, phenyl ester;Karbanil;
PSA 29.43000
LogP 1.65390

Synthetic route

: 582-61-6
benzoyl azide

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In dichloromethane Irradiation;	100%
In acetonitrile for 16h; Inert atmosphere; Reflux;	100%
With water for 5h; Inert atmosphere; UV-irradiation; Sealed tube; chemoselective reaction;	95%

: 32315-10-9
bis(trichloromethyl) carbonate

: 62-53-3
aniline

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%
In ethyl acetate at 0 - 5℃; for 3h; Solvent; Cooling with ice; Reflux;	89%
In chloroform at 20℃; for 1h; Cooling with ice;	85%

: 101-99-5
N-carboethoxyaniline

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 100 - 180℃; for 1h;	99%
With phosphorus pentoxide
With phosphorus pentoxide at 170℃; under 100 Torr; man fraktioniert das ueberdestillierte Phenylisocyanat;

: 18100-80-6
2,3,5-triphenyl-4-thiazolone

: 762-42-5
dimethyl acetylenedicarboxylate

A: 20851-13-2
dimethyl 2,5-diphenylthiophene-3,4-dicarboxylate

B: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In xylene Heating;	A 99% B n/a

...Expand

: 75-44-5
phosgene

: 62-53-3
aniline

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In toluene at -5 - 75℃; Solvent;	98%
Stage #1: phosgene; n-butyl isocyanide In chlorobenzene at 81℃; for 2.33333h; Stage #2: aniline In chlorobenzene at 81 - 88℃; for 1h;	76%
With 1-Chloronaphthalene at 230 - 240℃; unter Durchleiten durch ein Porzellanrohr;

: 66702-57-6
2-dimethylamino-5-(4-nitro-phenyl)-4-oxo-3-phenyl-4,5-dihydro-thiazolium betaine

: 762-42-5
dimethyl acetylenedicarboxylate

A: 103-71-9
phenyl isocyanate

B: 85013-66-7
2-Dimethylamino-5-(4-nitro-phenyl)-thiophene-3,4-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In xylene Heating;	A n/a B 98%

...Expand

: 66702-60-1
2-cyano-5-(4-nitro-phenyl)-4-oxo-3-phenyl-4,5-dihydro-thiazolium betaine

: 762-42-5
dimethyl acetylenedicarboxylate

A: 103-71-9
phenyl isocyanate

B: 85013-63-4
2-Cyano-5-(4-nitro-phenyl)-thiophene-3,4-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In xylene Heating;	A n/a B 98%

...Expand

: 59208-07-0
5-(4-nitro-phenyl)-4-oxo-2,3-diphenyl-4,5-dihydro-thiazolium betaine

: 762-42-5
dimethyl acetylenedicarboxylate

A: 103-71-9
phenyl isocyanate

B: 59086-14-5
2-(4-Nitro-phenyl)-5-phenyl-thiophene-3,4-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In xylene Heating;	A n/a B 97%

...Expand

: 103-72-0
phenyl isothiocyanate

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With air; palladium dichloride In 1,4-dioxane Heating;	96%
With mercury(II) oxide at 170℃;
Multi-step reaction with 3 steps 1: sodium hydride / 5,5-dimethyl-1,3-cyclohexadiene; mineral oil / 2 h / 20 °C / Inert atmosphere 2: chloroform / 1 h / 20 °C 3: acetonitrile / 25 °C View Scheme

: 622-46-8
carbamic acid phenyl ester

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In chlorobenzene at 160 - 240℃; under 11251.1 Torr; for 1h; Pressure; Solvent; Temperature; Inert atmosphere; Green chemistry;	94.9%

: 66702-58-7
5-(4-nitro-phenyl)-4-oxo-3-phenyl-2-phenylsulfanyl-4,5-dihydro-thiazolium betaine

: 762-42-5
dimethyl acetylenedicarboxylate

A: 103-71-9
phenyl isocyanate

B: 85013-62-3
2-(4-Nitro-phenyl)-5-phenylsulfanyl-thiophene-3,4-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In xylene Heating;	A n/a B 94%

...Expand

: 56409-80-4
5-benzyl-3,4-dihydro-4-oxo-1,2,3-triphenylpyrimidin-1-ium-6-olate

: 2983-74-6
4-methoxyphenyl cyanate

A: 103-71-9
phenyl isocyanate

B: 85037-41-8
5-Benzyl-6-(4-methoxy-phenoxy)-2,3-diphenyl-3H-pyrimidin-4-one

C: 25940-64-1
2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine

Conditions

Conditions	Yield
In chlorobenzene for 29h; Heating;	A n/a B 93% C n/a

...Expand

: 27983-93-3
3,3-Dimethyl-1-phenyl-2-azetidinone

A: 103-71-9
phenyl isocyanate

B: 115-11-7
isobutene

Conditions

Conditions	Yield
at 750℃; under 0.002 Torr;	A 93% B n/a

: 100-52-7
benzaldehyde

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In chloroform at 60℃; for 18h;	92%

: 56409-80-4
5-benzyl-3,4-dihydro-4-oxo-1,2,3-triphenylpyrimidin-1-ium-6-olate

: 1122-85-6
phenyl cyanate

A: 1919-48-8
2,4,6-triphenoxy-1,3,5-triazine

B: 103-71-9
phenyl isocyanate

C: 85037-39-4
5-Benzyl-6-phenoxy-2,3-diphenyl-3H-pyrimidin-4-one

Conditions

Conditions	Yield
In chlorobenzene for 18h; Heating;	A n/a B n/a C 92%

...Expand

: 61522-23-4
2-cyano-4-oxo-3,5-diphenyl-4,5-dihydro-thiazolium betaine

: 762-42-5
dimethyl acetylenedicarboxylate

A: 103-71-9
phenyl isocyanate

B: 85013-64-5
2-Cyano-5-phenyl-thiophene-3,4-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In xylene Heating;	A n/a B 92%

...Expand

: 4-Methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo<2.2.2>oct-7-en-7-carbonsaeure-methylester

A: 103-71-9
phenyl isocyanate

B: 1,2-Dihydro-3-methyl-2-oxo-1-phenyl-5-pyridincarbonsaeure-methylester

Conditions

Conditions	Yield
at 220℃; for 0.166667h;	A n/a B 92%

: 4-Benzyl-7,8-bis(diethylamino)-2,6-diphenyl-2,6-diazabicyclo<2.2.2>oct-7-en-3,5-dion

A: 103-71-9
phenyl isocyanate

B: 3-Benzyl-4,5-bis(diethylamino)-1-phenyl-2(1H)-pyridinon

Conditions

Conditions	Yield
at 150℃; for 0.166667h;	A n/a B 92%

: 2603-10-3
N-phenyl methyl carbamate

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 85 - 184℃; for 1h;	90.8%
With phosphorus pentachloride at 120 - 140℃; for 3h;	68%
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	93 % Chromat.

: 201230-82-2
carbon monoxide

: 98-95-3
nitrobenzene

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With pyridine; di(rhodium)tetracarbonyl dichloride; pyridine hydrochloride In chlorobenzene at 205℃; under 50 Torr; for 1h;	90%
With di(rhodium)tetracarbonyl dichloride; pyridine hydrochloride In chlorobenzene at 190℃; under 38000 Torr; for 1h;	80%
Stage #1: nitrobenzene at 120℃; under 75007.5 Torr; for 4h; Inert atmosphere; Autoclave; Stage #2: carbon monoxide Catalytic behavior; Temperature; Reagent/catalyst; Inert atmosphere; Autoclave;	72.2%

: 109853-15-8
C16H16N4OS2

A: 103-71-9
phenyl isocyanate

B: 13281-49-7
3-Mercapto-1-methyl-5-phenyl-1,2,4-triazol

Conditions

Conditions	Yield
N-benzyl-N,N,N-triethylammonium chloride In sodium hydroxide; dichloromethane for 12h; Ambient temperature;	A n/a B 89%

: 77219-88-6
bis(trimethylsilyl)benzohydroxamic acid

A: 107-46-0
Hexamethyldisiloxane

B: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
at 120℃;	A n/a B 88%

: N-(2,2-dimethyl-3-butynoyl)-N,N'-diphenylurea

A: 103-71-9
phenyl isocyanate

B: 2,2-dimethyl-N-phenyl-3-butynamide

Conditions

Conditions	Yield
In benzene for 2h; Heating;	A n/a B 88%

: 5099-95-6
1-phenylazetidin-2-one

A: 74-85-1
ethene

B: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
at 750℃; under 0.002 Torr; Mechanism; regioselectivity, other substituted 1-phenylazetidin-2-ones, var. temp.;	A n/a B 88%
at 750℃; under 0.002 Torr;	A n/a B 88%

: 24424-95-1
di-tert-butyl tricarbonate

: 62-53-3
aniline

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In dichloromethane for 0.0833333h; Ambient temperature;	87%

: 495-18-1
Benzohydroxamic acid

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 55 - 197℃; for 2h;	86%
With Phenyltrichlorosilane at 55 - 197℃; for 2h; Product distribution; var. silanes, var. time, var. temp.;	86%
With Phenyltrichlorosilane at 100 - 130℃; for 2h;	81.9%

: 67723-48-2
N-Benzoyl-N,O-bis(trimethylsilyl)hydroxylamine

A: 1821-33-6
N-phenyl-N'-benzoylurea

B: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In decalin at 160℃; for 0.0833333h;	A 5.7% B 86%

: 22513-32-2
acid sodium salt of benzohydroxamic acid

: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 130 - 140℃; for 2h;	86%
With Phenyltrichlorosilane at 130 - 140℃; for 2h;	85.8%

: 4-Methyl-3,5-dioxo-2,6-diphenyl-2,6-diazabicyclo<2.2.2>oct-7-en-7,8-dicarbonsaeure-dimethylester

A: 103-71-9
phenyl isocyanate

B: 1,2-Dihydro-3-methyl-2-oxo-1-phenyl-4,5-pyridindicarbonsaeure-dimethylester

Conditions

Conditions	Yield
at 220℃; for 0.166667h;	A n/a B 85%

: 110-91-8
morpholine

: 103-71-9
phenyl isocyanate

: 4559-92-6
N-phenylmorpholine-4-carboxamide

Conditions

Conditions	Yield
at 0 - 20℃; for 48.3333h;	100%
In diethyl ether at 20℃; for 18h;	99.2%
In diethyl ether at 20℃; for 0.75h; Addition;	97%

: 288-32-4
1H-imidazole

: 103-71-9
phenyl isocyanate

: 33876-94-7
N-phenyl-1H-imidazole-1-carboxamide

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	100%
In 1,4-dioxane at 0 - 20℃;	87%
In diethyl ether for 3h; Heating;	84%

: 61-54-1
tryptamine

: 103-71-9
phenyl isocyanate

: 32585-51-6
N-[2-(1H-indol-3-yl)ethyl]-N'-phenylurea

Conditions

Conditions	Yield
Stage #1: tryptamine; phenyl isocyanate In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%
In dichloromethane at 60℃; for 5h; Inert atmosphere; Sealed reaction vessel;	98%

: 34803-66-2
1-(2-pyridyl)piperazine

: 103-71-9
phenyl isocyanate

: 4-[2]pyridyl-piperazine-1-carboxylic acid anilide

Conditions

Conditions	Yield
Stage #1: 1-(2-pyridyl)piperazine; phenyl isocyanate In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%

: 67-56-1
methanol

: 103-71-9
phenyl isocyanate

: 2603-10-3
N-phenyl methyl carbamate

Conditions

Conditions	Yield
With cerium(IV) oxide; carbon dioxide at 170℃; under 30003 Torr; for 12h; Inert atmosphere; Autoclave;	100%
With dibutyltin dilaurate at 50℃; for 3h;	100%
at 80℃; for 0.5h; Inert atmosphere;	98%

: 103-71-9
phenyl isocyanate

: 556-82-1
3-methyl-2-buten-1-ol

: 105902-61-2
3-methylbut-2-en-1-yl phenylcarbamate

Conditions

Conditions	Yield
In acetonitrile at 70℃; for 23h; Inert atmosphere;	100%
With triethylamine In dichloromethane at 20℃; Inert atmosphere;	88%
With triethylamine In dichloromethane at 20℃;	88%

: 2216-51-5
(-)-menthol

: 103-71-9
phenyl isocyanate

: 637336-84-6
phenylcarbamic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h;	100%
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h; Reagent/catalyst; Inert atmosphere; Sealed tube;	100%

: 103-71-9
phenyl isocyanate

: 107-19-7
propargyl alcohol

: 5416-67-1
2-propynyl phenylcarbamate

Conditions

Conditions	Yield
With dmap; triethylamine In tetrahydrofuran at 20℃; for 90h;	100%
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h;	100%
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h; Inert atmosphere; Sealed tube;	100%

: 103-71-9
phenyl isocyanate

: 109-73-9
N-butylamine

: 3083-88-3
N-butyl-N'-phenylurea

Conditions

Conditions	Yield
Stage #1: phenyl isocyanate; N-butylamine In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%
at 20℃;	98%
In hexane at 25℃; Cooling with ice;	98%

: 103-71-9
phenyl isocyanate

: 62-53-3
aniline

: 102-07-8
bis(diphenyl)urea

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%
In acetic acid for 0.0833333h;	98%
In hexane	95%

: 103-71-9
phenyl isocyanate

: 156-43-4
4-Ethoxyaniline

: 4345-85-1
1-(4-ethoxy-phenyl)-3-phenyl urea

Conditions

Conditions	Yield
In tetrahydrofuran for 0.166667h;	100%
With diethyl ether

: 103-71-9
phenyl isocyanate

: 115-19-5
2-methyl-but-3-yn-2-ol

: 6289-19-6
O-α,α-dimethylpropargyl N-phenylcarbamate

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h;	100%
With triethylamine In tetrahydrofuran at 70℃; for 12h; Inert atmosphere;	94%
With dmap; triethylamine In tetrahydrofuran at 20℃; for 90h;	88%

: 103-71-9
phenyl isocyanate

: 104-84-7
para-methylbenzylamine

: 35305-46-5
N-(4-methylbenzyl)-N’-phenylurea

Conditions

Conditions	Yield
Stage #1: phenyl isocyanate; para-methylbenzylamine In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%

: 103-71-9
phenyl isocyanate

: 71-36-3
butan-1-ol

: 1538-74-5
N-phenyl-carbamic acid butyl ester

Conditions

Conditions	Yield
chlorodi-(n-butyl)tin acetate In chloroform for 0.833333h; Product distribution; Mechanism; Ambient temperature; catalytic activity, various tin(IV) catalysts;	100%
chlorodi-(n-butyl)tin acetate In chloroform for 0.833333h; Ambient temperature;	100%
With diallyltin(IV)di(2-ethyl hexanoate) In dichloromethane for 0.0833333h; Product distribution; Heating; other alcohols and isocyanates; var. temp. and time;	93%

: 103-71-9
phenyl isocyanate

: 108-95-2
phenol

: 4930-03-4
phenyl N-phenylcarbamate

Conditions

Conditions	Yield
at 20℃; for 2h;	100%
With cesium fluoride	93.1%
With triethylamine In acetonitrile for 24.5h; Esterification;	89%

: 103-71-9
phenyl isocyanate

: 1785-02-0
triphenyl isocyanurate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 70℃; under 6000480 Torr; for 20h;	100%
With sodium nitrite for 0.166667h; Cyclization; microwave irradiation;	99%
With 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene In tetrahydrofuran at 20℃; for 1h;	99%

: 1483-24-5
1-methyl-1-benzoylhydrazine

: 103-71-9
phenyl isocyanate

: 13136-26-0
1-Benzoyl-1-methyl-4-phenylsemicarbazid

Conditions

Conditions	Yield
In tetrahydrofuran Heating;	100%
In diethyl ether
In ethanol

: 103-71-9
phenyl isocyanate

: 78-27-3
1-Ethynyl-1-cyclohexanol

: 73623-16-2
1-ethynylcyclohexyl phenylcarbamate

Conditions

Conditions	Yield
With dmap; triethylamine In tetrahydrofuran at 20℃; for 90h;	100%
In 1,2-dichloro-ethane at 20℃; for 16h;	82%
With 1-methyl-pyrrolidin-2-one

: 103-71-9
phenyl isocyanate

: 30389-18-5
1-Ethynylcyclohexylamine

: 42785-83-1
1-(1-ethynylcyclohexyl)-3-phenylurea

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	100%
In diethyl ether

: 103-71-9
phenyl isocyanate

: 111-42-2
2,2'-iminobis[ethanol]

: 20074-78-6
1,1-[Di-(2-hydroxyethyl)]-3-phenylurea

Conditions

Conditions	Yield
In dichloromethane	100%
In benzene
In dichloromethane; toluene at 20℃;
In dichloromethane at 20℃; for 0.0166667h; Inert atmosphere;	1.14 g

: 2167-39-7
(+/-)-2-methyloxetane

: 103-71-9
phenyl isocyanate

: 99855-05-7
6-methyl-3-phenyl-1,3-oxazinan-2-one

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; diphenyltin diiodide at 80℃; for 3h; sealed tube;	100%
With tetraphenyl stibonium iodide In tetrahydrofuran at 60℃; for 23h;	27%

: 106-88-7
ethyloxirane

: 103-71-9
phenyl isocyanate

: 105873-71-0
4-ethyl-3-phenyl-1,3-oxazolidine-2-one

Conditions

Conditions	Yield
With tetraphenyl stibonium iodide In dichloromethane at 40℃;	100%
tetraphenyl stibonium iodide In dichloromethane at 45℃; for 1h;	100%
tetraphenyl stibonium iodide In dichloromethane at 45℃; for 1h; Heating;	84%

: 71-23-8
propan-1-ol

: 103-71-9
phenyl isocyanate

: 63379-16-8
1-propyl (4-methylphenyl)carbamate

Conditions

Conditions	Yield
In pyridine; ethyl acetate	100%

: 3105-97-3
hycanthone

: 103-71-9
phenyl isocyanate

: 3612-74-6
hycanthone N-phenylcarbamate

Conditions

Conditions	Yield
In dichloromethane	100%

: 25355-53-7
1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydro-pyridine

: 103-71-9
phenyl isocyanate

: 81197-49-1
1-Methyl-2-methylsulfanyl-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid phenylamide

Conditions

Conditions	Yield
In diethyl ether Ambient temperature;	100%
In diethyl ether for 4h; Ambient temperature; Yield given;

: 71-41-0
pentan-1-ol

: 103-71-9
phenyl isocyanate

: 63075-06-9
pentyl N-phenyl-carbamate

Conditions

Conditions	Yield
for 1h;	100%
for 1h; Heating;	100%
at 20℃;	92%

: 5804-92-2
2-(trimethylsilyloxy)ethanamine

: 103-71-9
phenyl isocyanate

: 1-phenyl-3-<2-(trimethylsiloxy)ethyl>urea

Conditions

Conditions	Yield
	100%

: 2935-90-2
Methyl 3-mercaptopropionate

: 103-71-9
phenyl isocyanate

: 77585-81-0
3-(N-Phenylcarbamoylmercapto)-propionsaeuremethylester

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In diethyl ether at 40℃; for 0.5h;	100%

: 1660-24-8
1-benzoyl-2-methylhydrazine

: 103-71-9
phenyl isocyanate

: 77919-29-0
1-Benzoyl-2-methyl-4-phenylsemicarbazid

Conditions

Conditions	Yield
In tetrahydrofuran Heating;	100%

Phenyl isocyanate Consensus Reports

Reported in EPA TSCA Inventory.

Phenyl isocyanate Standards and Recommendations

DOT Classification: 6.1; Label: Poison; DOT Class: 6.1; Label: Poison, Flammable Liquid; DOT Class: 3; Label: Flammable Liquid, Poison

Phenyl isocyanate Specification

The Phenyl isocyanate with CAS registry number of 103-71-9 is also known as Benzene, isocyanato-. The IUPAC name is Isocyanatobenzene. It belongs to product categories of Organics; Derivatization Reagents; Derivatization Reagents HPLC; UV-VIS; Isocyanates; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 203-137-6. In addition, the formula is C₇H₅NO and the molecular weight is 119.13. This chemical is a colourless to light yellow liquid with an acrid odour that soluble in benzene, toluene, chloroform but decomposed in water and alcohol. It at low levels can cause damage to health that may destroy living tissue on contact and it should be sealed in ventilate, cool, dry place away from fire, heat.

Physical properties about Phenyl isocyanate are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.01; (5)ACD/BCF (pH 7.4): 54.01; (6)ACD/KOC (pH 5.5): 604.92; (7)ACD/KOC (pH 7.4): 604.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.522; (11)Molar Refractivity: 36.15 cm³; (12)Molar Volume: 118.4 cm³; (13)Surface Tension: 38.6 dyne/cm; (14)Density: 1 g/cm³; (15)Flash Point: 55.6 °C; (16)Enthalpy of Vaporization: 39.95 kJ/mol; (17)Boiling Point: 163 °C at 760 mmHg; (18)Vapour Pressure: 2.11 mmHg at 25 °C.

Preparation of Phenyl isocyanate: it is prepared by reaction of nitrobenzene with carbon monoxide. The reaction needs reagents Py, PyHCl and solvent chlorobenzene at the temperature of 205 °C for 1 hour. The yield is about 90%.

Phenyl isocyanate is prepared by reaction of nitrobenzene with carbon monoxide.

Uses of Phenyl isocyanate: it is used to produce 1-anilino-5,6-dihydro-6,6-dimethyl-3-phenylimino-4-cyano-8H-pyrano[3,4-c]pyran by reaction with (2,2-dimethyl-tetrahydro-pyran-4-ylidene)-malononitrile. The reaction occurs with reagent triethylamine and solvent dimethylformamide at 60 °C for 48 hours. The yield is about 35%.

Phenyl isocyanate is used to produce 1-anilino-5,6-dihydro-6,6-dimethyl-3-phenylimino-4-cyano-8H-pyrano[3,4-c]pyran by reaction with (2,2-dimethyl-tetrahydro-pyran-4-ylidene)-malononitrile.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Furthermore, it is harmful if swallowed, very toxic by inhalation and even may cause sensitisation by inhalation. It is harmful to aquatic organisms and it is flammable that may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. After contact with skin, wash immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately. Because of insufficient ventilation wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)N=C=O
2. InChI: InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
3. InChIKey: DGTNSSLYPYDJGL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0528337,
mouse	LD50	oral	196mg/kg (196mg/kg)		Ecotoxicology and Environmental Safety. Vol. 17, Pg. 258, 1989.
mouse	LD50	subcutaneous	1400mg/kg (1400mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
rabbit	LD50	skin	7130mg/kg (7130mg/kg)		Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat	LC50	inhalation	22mg/m³/4H (22mg/m³)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0530489,
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR	National Technical Information Service. Vol. OTS0528337,
rat	LD50	oral	800mg/kg (800mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0528337,
rat	LD50	skin	5mL/kg (5mL/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: AGGRESSION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0528430,

Product Name

Phenyl isocyanate

Synthetic route

Phenyl isocyanate Consensus Reports

Phenyl isocyanate Standards and Recommendations

Phenyl isocyanate Specification

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