Allyl isocyanate supplier | CasNO.1476-23-9

Name
ALLYL ISOCYANATE
EINECS -0
CAS No. 1476-23-9
Article Data32
CAS DataBase
Density 0.94
Solubility Hydrolyzes in water.
Melting Point
Formula C4H5 N O
Boiling Point 88 °C at 760 mmHg
Molecular Weight 83.0898
Flash Point 43 ºC
Transport Information UN 3080
Appearance
Safety A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes R10;R23/24/25;R34;R42
Molecular Structure
Hazard Symbols
Synonyms Isocyanicacid, allyl ester (6CI,7CI,8CI); 2-Propenyl isocyanate; Allyl isocyanate; NSC96964; Propene, 3-isocyanato-
PSA 29.43000
LogP 0.50820

Synthetic route

: 557-11-9
allylurea

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With hydrogenchloride; tetrabutylammomium bromide; sodium nitrite In water; toluene at 0℃; for 5.5h; Temperature;	92%

: 19364-21-7
methyl allylcarbamate

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With trichloro(dichloromethyl)silane at 95 - 150℃; for 0.5h;	81%

: 556-56-9
allyl iodid

: 3315-16-0
silver cyanate

: 1476-23-9
allylisocyanate

: 1025-15-6
triallyl isocyanurate

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With hydrogenchloride; toluene dann Erhitzen bis auf 220grad oder beim Behandeln mit Chlorwasserstoff bei 130grad;

: 79224-96-7
allyl-carbamic acid-(2-hydroxy-phenyl ester)

A: 120-80-9
benzene-1,2-diol

B: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
at 240 - 270℃;

: 79224-96-7
allyl-carbamic acid-(2-hydroxy-phenyl ester)

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
at 240 - 270℃;

: 75-44-5
phosgene

: 107-11-9
1-amino-2-propene

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
Behandlung des entstandenen Allylcarbamidsaeure-chlorids mit Ca(OH)2 oder mit Aethylenoxyd-Derivaten;

: 107-11-9
1-amino-2-propene

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With phosgene; toluene Behandeln des Reaktionsgemisches mit Calciumoxid oder mit Chinolin;

: 51041-96-4
trimethylsilyl allylcarbamate

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With tetrachlorosilane
Stage #1: trimethylsilyl allylcarbamate With chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane for 72h; Stage #2: at 200℃; Further stages.;

: 29771-43-5
O-Allylthiocarbamat

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With magnesium sulfate; silver(l) oxide In tetrachloromethane

: 124-38-9
carbon dioxide

: 107-11-9
1-amino-2-propene

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
(i) Et3N, isopropylbenzene, (ii) Cl2CHSiCl3; Multistep reaction;

: 501-53-1
benzyl chloroformate

: 107-11-9
1-amino-2-propene

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With carbon disulfide; sodium hydroxide 1.) 2h, heating, 2.) 35-40 deg C, 30 min; Yield given. Multistep reaction;

: C8H18N2OSi

A: 75-77-4
chloro-trimethyl-silane

B: 1476-23-9
allylisocyanate

C: 624-83-9
methyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 150 - 210℃;	A 51 % Chromat. B 43.6 % Chromat. C 5.4 % Chromat.

...Expand

: 107-11-9
1-amino-2-propene

: 503-38-8
trichloromethyl chloroformate

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With pyrographite In ethyl acetate Condensation; Heating;

: 5-allyloxy-[1,2,3,4]thiatriazole

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With hydrogen sulfide at 20℃;

: 1070-41-3
allyl allylcarbamate

: 1476-23-9
allylisocyanate

Conditions

Conditions	Yield
With 2-chloropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 1.08333h;

: 1476-23-9
allylisocyanate

: 1885-29-6
anthranilic acid nitrile

: 122372-27-4
2-(3-allylureido)benzonitrile

Conditions

Conditions	Yield
for 48h; Ambient temperature;	100%
for 48h; Ambient temperature;	100%
In dichloromethane for 3h; Ambient temperature;	88%

: 107-19-7
propargyl alcohol

: 1476-23-9
allylisocyanate

: 130721-44-7
2-propynyl allylcarbamate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Ambient temperature;	100%

: 2117-11-5
4-pentyn-2-ol

: 1476-23-9
allylisocyanate

: 1-methyl-3-butynyl allylcarbamate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Ambient temperature;	100%

: 718619-66-0
N-amino{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carboxamide; 2-(4-iodo-2-fluoro-phenylamino)-3,4-difluoro-benzoic acid hydrazide

: 1476-23-9
allylisocyanate

: 718619-67-1
4'-allyl-1'[3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)]-semicarbazole

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h;	100%

: 1476-23-9
allylisocyanate

: 108-98-5
thiophenol

: 14467-73-3
phenyl N-allylthiocarbamate

Conditions

Conditions	Yield
	100%
With pyridine In toluene for 2h; Reflux;

: 1476-23-9
allylisocyanate

: 536-40-3
4-chlorobenzoic acid hydrazide

: 959140-37-5
2-[(4-chlorophenyl)carbonyl]-N-(prop-2-en-1-yl)hydrazinecarboxamide

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃; for 2h;	100%
In tetrahydrofuran at 50℃; for 2h;	100%

: 1476-23-9
allylisocyanate

: 7008-85-7
5-diazoimidazole-4-carboxamide

: 85622-99-7
3-allyl-8-carbamoyl-[3H]-imidazo[5,1-d]-1,2,3,5-tetrazin-4-one

Conditions

Conditions	Yield
In dimethyl sulfoxide at 25℃; for 24h; Inert atmosphere;	100%

: 12289-45-1
4-ferrocenylbutan-1-ol

: 1476-23-9
allylisocyanate

: 1428230-49-2
(4-ferrocenylbutyl)-N-allylcarbamate

Conditions

Conditions	Yield
In dichloromethane for 2.5h; Inert atmosphere; Reflux;	99.4%

: 1033547-77-1
N-phenyl-2-[(triphenylphosphoranylidene)amino]benzenesulfonamide

: 1476-23-9
allylisocyanate

: 1033548-25-2
2-phenyl-N-(prop-2-enyl)-2H-1,2,4-benzothiadiazin-3-amine 1,1-dioxide

Conditions

Conditions	Yield
In toluene at 110℃; for 3h;	99%

: 300356-42-7
3-cyclopentyl-2-(3,4-dichlorophenyl)propionamide

: 1476-23-9
allylisocyanate

: 300354-62-5
1-allyl-3-[3-cyclopentyl-2-(3,4-dichlorophenyl)propionyl]urea

Conditions

Conditions	Yield
In toluene for 24h; Reflux; Inert atmosphere;	99%

: 1476-23-9
allylisocyanate

: 1801-72-5
1,3-diallylurea

Conditions

Conditions	Yield
With water; triethylamine In 1,4-dioxane at 20℃; for 0.05h;	98.5%
Stage #1: allylisocyanate With [nido-6-Mn(CO)3B9H13][NMe4] In dichloromethane for 0.166667h; Inert atmosphere; Sonication; Stage #2: In dichloromethane for 0.166667h; Irradiation; Inert atmosphere;	92%
With [Pr(SPh)3(THF)3] In tetrahydrofuran at 60℃; for 12h; Inert atmosphere;	85%

: 41365-74-6
3,3-diethoxypropionic amide

: 1476-23-9
allylisocyanate

: 3-Allylamino-3H-pyridine-2,6-dione

Conditions

Conditions	Yield
In toluene for 18h; Heating;	98%

: 1476-23-9
allylisocyanate

: 756-80-9
O,O-dimethyl phosphorodithioic acid

: O,O-dimethyl-S-(N-allylcarbamoyl) dithiophosphate

Conditions

Conditions	Yield
In tetrachloromethane	98%

: 1476-23-9
allylisocyanate

: 1025-15-6
triallyl isocyanurate

Conditions

Conditions	Yield
With 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene at 20℃; for 1h;	98%
With tetraethylammonium 2-(carbamoyl)benzoate at 50℃; for 6h; Neat (no solvent);	95%
With 1,3-dimethyl-4,5-diphenyl-2-(propan-2-ylidene)-2,3-dihydro-1H-imidazole; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃; for 48h; Inert atmosphere; Glovebox;	89%

: 72858-55-0, 90405-21-3, 90405-42-8, 124362-60-3, 144221-86-3
3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-D-glucopyranose

: 1476-23-9
allylisocyanate

: 150630-95-8
3,4,6-tri-O-acetyl-1-O-(N-allyl)carbamoyl-2-deoxy-2-phthalimido-β-D-glucopyranose

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane for 12h; Ambient temperature;	98%

: 80581-19-7
((2S,3R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)oxiran-2-yl)methanol

: 1476-23-9
allylisocyanate

: 317855-06-4
Allyl-carbamic acid (2S,3R)-3-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-oxiranylmethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In benzene at 60℃;	98%

: 92288-15-8
(6-methoxyquinolin-4-yl)methanol

: 1476-23-9
allylisocyanate

: 1353716-33-2
(6-methoxyquinolin-4-yl)methyl allylcarbamate

Conditions

Conditions	Yield
With dibutyltin dilaurate In dichloromethane for 6h; Inert atmosphere; Reflux;	98%

: 6246-48-6, 35278-77-4, 36615-19-7
geranylamine

: 1476-23-9
allylisocyanate

: 1416431-37-2
C14H24N2O

Conditions

Conditions	Yield
In dichloromethane at 20℃;	98%

: 1401073-47-9
3-amino-12-N-methylcytisine

: 1476-23-9
allylisocyanate

: 1401073-48-0
N-(12-methylcytisin-3-yl)-N-allylurea

Conditions

Conditions	Yield
In benzene at 20℃;	98%

: 1476-23-9
allylisocyanate

: 485-35-8
cytisine

: 449797-68-6
N-allylcytisine-11-carbamide

Conditions

Conditions	Yield
In benzene at 20℃;	98%

: 593-71-5
Chloroiodomethane

: 1476-23-9
allylisocyanate

: 13269-97-1
N-(chloroacetyl)allylamine

Conditions

Conditions	Yield
With methyllithium lithium bromide In diethyl ether at -78℃;	98%
With methyllithium; lithium bromide In diethyl ether at -78℃; for 1h; chemoselective reaction;	98%

: 1-methyl-4-(3-methylpyridin-2-yl)isatin

: 1476-23-9
allylisocyanate

: C17H17N3O

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenyl-arsane In 1,4-dioxane at 160℃; chemoselective reaction;	98%

: 1476-23-9
allylisocyanate

: 141244-37-3
2-(3-amino-4-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo<1,2-a>pyridine

: 141244-46-4
1-Allyl-3-[2-hydroxy-5-(7-methyl-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridin-2-yl)-phenyl]-urea

Conditions

Conditions	Yield
In tetrahydrofuran; methanol for 2h; Ambient temperature;	97%

: 22737-37-7
N,O-bis(trimethylsilyl)hydroxylamine

: 1476-23-9
allylisocyanate

: 126669-70-3
C10H24N2O2Si2

Conditions

Conditions	Yield
at 50 - 60℃; for 3.5h;	96%

: 190728-25-7
4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline

: 1476-23-9
allylisocyanate

: N-Allyl-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide	96%

: 1476-23-9
allylisocyanate

: 3977-29-5
6-methylisocytosine

: 709028-38-6
1-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ureido)prop-2-ene

Conditions

Conditions	Yield
In dimethyl sulfoxide at 170℃;	96%

: 841-77-0
diphenylmethylpiperazine

: 1476-23-9
allylisocyanate

: 1349487-56-4
N-allyl-4-(diphenylmethyl)piperazine-1-carboxamide

Conditions

Conditions	Yield
Stage #1: diphenylmethylpiperazine With triethylamine In dichloromethane for 0.166667h; Cooling with ice; Stage #2: allylisocyanate In dichloromethane at 20℃;	96%

: 637-60-5
p-tolylhydrazine hydrochloride

: 1476-23-9
allylisocyanate

: C11H15N3O

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 7h;	96%

: 998-30-1
Triethoxysilane

: 1476-23-9
allylisocyanate

: 24801-88-5
3-(triethoxypropyl) isocyanate

Conditions

Conditions	Yield
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex at 40 - 85℃; for 4.5h;	95.7%

: 1476-23-9
allylisocyanate

: 107-56-2
O,O-diisopropyl hydrogen phosphorodithioate

: O,O-diisopropyl-S-(N-allylcarbamoyl) dithiophosphate

Conditions

Conditions	Yield
In tetrachloromethane	95%

Allyl isocyanate Chemical Properties

IUPAC Name: 3-isocyanatoprop-1-ene
Molecular Weight: 83.0886 g/mol
Molecular Formula: C₄H₅NO
Density: 0.85 g/cm³
Boiling Point: 88 °C at 760 mmHg
Flash Point: 43.3 °C
Storage temp.: 2-8 °C
Color: yellow
Sensitive: moisture sensitive
Molar Volume: 97.4 cm³
Polarizability: 9.79*10^-24cm³
Surface Tension: 29.3 dyne/cm
Enthalpy of Vaporization: 32.82 kJ/mol
Vapour Pressure: 62.3 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 83.037114
MonoIsotopic Mass: 83.037114
Topological Polar Surface Area: 29.4
Heavy Atom Count: 6
Complexity: 81.5
InChI: InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N

Allyl isocyanate Toxicity Data With Reference

ivn-mus LD50:18 mg/kg

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03769 .

Allyl isocyanate Consensus Reports

Reported in EPA TSCA Inventory.

Allyl isocyanate Safety Profile

A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Harmful Xn, Toxic T
Risk Statements: 36/37/38-42-34-23/24/25-10
R36/37/38: Irritating to eyes, respiratory system and skin
R42: May cause sensitization by inhalation
R34: Causes burns
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R10: Flammable
Safety Statements 23-26-36/37/39-45
S23: Do not breathe vapour
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 3080 6.1/PG 2
WGK Germany: 3
RTECS: NQ8175000
F: 9-21-19
HazardClass: 3
PackingGroup: III

Allyl isocyanate Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD (UN 2207); DOT Class: 6.1; Label: Poison (UN 2206); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3080); DOT Class: 3; Label: Flammable Liquid, Poison (UN 2478)

Allyl isocyanate Specification

Allyl isocyanate (CAS NO.1476-23-9) is also called 1-propene,3-isocyanato- ; 3-isocyanato-1-propen ; 3-isocyanato-1-Propene ; isocyanated'allyle ; isocyanicacid,allylester ; isocyanate isocyanate d'allyle ; 3-isocyanatoprop-1-ene .Allyl isocyanate (CAS NO.1476-23-9) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Allyl isocyanate (CAS NO.1476-23-9) separate from raw materials of food.

Product Name

ALLYL ISOCYANATE

Synthetic route

Allyl isocyanate Chemical Properties

Allyl isocyanate Toxicity Data With Reference

Allyl isocyanate Consensus Reports

Allyl isocyanate Safety Profile

Allyl isocyanate Standards and Recommendations

Allyl isocyanate Specification

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