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| CAS No.: | 1476-23-9 |
|---|---|
| Name: | ALLYL ISOCYANATE |
| Article Data: | 32 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5 N O |
| Molecular Weight: | 83.0898 |
| Synonyms: | Isocyanicacid, allyl ester (6CI,7CI,8CI); 2-Propenyl isocyanate; Allyl isocyanate; NSC96964; Propene, 3-isocyanato- |
| EINECS: | -0 |
| Density: | 0.94 |
| Boiling Point: | 88 °C at 760 mmHg |
| Flash Point: | 43 ºC |
| Solubility: | Hydrolyzes in water. |
| Hazard Symbols: |
|
| Risk Codes: | R10;R23/24/25;R34;R42 |
| Safety: | A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. |
| Transport Information: | UN 3080 |
| PSA: | 29.43000 |
| LogP: | 0.50820 |
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| 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 | Yield |
|---|---|
| With trichloro(dichloromethyl)silane at 95 - 150℃; for 0.5h; | 81% |
| 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 | Yield |
|---|---|
| at 240 - 270℃; |
- 79224-96-7
allyl-carbamic acid-(2-hydroxy-phenyl ester)
- 1476-23-9
allylisocyanate
| Conditions | Yield |
|---|---|
| at 240 - 270℃; |
| Conditions | Yield |
|---|---|
| Behandlung des entstandenen Allylcarbamidsaeure-chlorids mit Ca(OH)2 oder mit Aethylenoxyd-Derivaten; |
| Conditions | Yield |
|---|---|
| With phosgene; toluene Behandeln des Reaktionsgemisches mit Calciumoxid oder mit Chinolin; |
- 51041-96-4
trimethylsilyl allylcarbamate
- 1476-23-9
allylisocyanate
| 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 | Yield |
|---|---|
| With magnesium sulfate; silver(l) oxide In tetrachloromethane |
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Chemistry
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*10-24 cm3
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
Toxicity Data With Reference
| 1. | 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 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
Xn, 
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
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)
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.