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| CAS No.: | 31410-01-2 |
|---|---|
| Name: | 1-Allylimidazole |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8N2 |
| Molecular Weight: | 108.143 |
| Synonyms: | 1H-Imidazole,1-(2-propenyl)- (9CI);Imidazole, 1-allyl- (8CI);1-(Prop-2-enyl)-1H-imidazole;N-Allylimidazole; |
| EINECS: | 250-618-1 |
| Density: | 0.941 g/cm3 |
| Boiling Point: | 251.496 °C at 760 mmHg |
| Flash Point: | 101.111 °C |
| Solubility: | It is soluble in water. |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45-25 |
| Transport Information: | UN 3267 8/PG 2 |
| PSA: | 17.82000 |
| LogP: | 1.06910 |
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| Conditions | Yield |
|---|---|
| With briphos; bis(dibenzylideneacetone)-palladium(0) In dichloromethane at 30℃; for 12h; | 99% |
| Conditions | Yield |
|---|---|
| With 2,3,4,5,6-pentafluorophenol; briphos; bis(dibenzylideneacetone)-palladium(0) In dichloromethane at 30℃; for 6h; Kinetics; Concentration; Solvent; Reagent/catalyst; Inert atmosphere; | 96% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; PEG-400-Et2 In water; benzene at 30℃; for 2h; | 93% |
| Stage #1: 1H-imidazole With sodium hydride In tetrahydrofuran for 1h; Heating; Stage #2: allyl bromide In tetrahydrofuran at 50℃; for 3h; Further stages.; | 32% |
| With tetra-(n-butyl)ammonium iodide; sodium hydroxide In toluene |
- 50-00-0
formaldehyd
- 131543-46-9
Glyoxal
- 7664-41-7
ammonia
- 107-11-9
1-amino-2-propene
A
- 288-32-4
1H-imidazole
B
- 31410-01-2
1-allylimidazole
| Conditions | Yield |
|---|---|
| Stage #1: formaldehyd; ammonia; 1-amino-2-propene In water at 25℃; for 1h; Stage #2: Glyoxal; ammonia at 25℃; for 1h; | A 4% B 93% |
- 106-95-6
allyl bromide
- 31410-01-2
1-allylimidazole
| Conditions | Yield |
|---|---|
| 76% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; tetrabutylammomium bromide at 0℃; for 5h; | A 37% B n/a C n/a |
| With potassium tert-butylate; tetrabutylammomium bromide at 0℃; for 5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 31410-01-2
1-allylimidazole
| Conditions | Yield |
|---|---|
| With sodium carbonate In water Yield given; |
- 31410-01-2
1-allylimidazole
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 0.833333h; Ambient temperature; Yield given; |
| Conditions | Yield |
|---|---|
| In water |
| Conditions | Yield |
|---|---|
| In [D3]acetonitrile at 80℃; for 16h; Inert atmosphere; Sealed vial; |
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Chemistry
IUPAC Name: 1-Prop-2-Enylimidazole
Following is the structure of 1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2):
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Empirical Formula: C6H8N2
Molecular Weight: 108.1411 g/mol
EINECS: 250-618-1
Index of Refraction: 1.512
Molar Refractivity: 34.46 cm3
Molar Volume: 114.8 cm3
Density: 0.94 g/cm3
Flash Point: 101.1 °C
Surface Tension: 34 dyne/cm
Enthalpy of Vaporization: 46.9 kJ/mol
Boiling Point: 251.5 °C at 760 mmHg
Appearance: clear colorless to light yellow liquid
Vapour Pressure of 1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2): 0.0324 mmHg at 25 °C
Product Categories of 1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2): Imidazoles
Canonical SMILES: C=CCN1C=CN=C1
InChI: InChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2
InChIKey: XLXCHZCQTCBUOX-UHFFFAOYSA-N
Toxicity Data With Reference
1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes: 
C
Risk Statements 22-34
R22:Harmful if swallowed.
R34:Causes burns.
Safety Statements 26-36/37/39-45-25
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.)
S25:Avoid contact with eyes.
RIDADR: UN 3267 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
Specification
1H-Imidazole,1-(2-propen-1-yl)- , its cas register number is 31410-01-2. It also can be called 1-Allyl-1H-imidazole ; and 1-Allylimidazole .
1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. While, it's inhaled: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Then you have the ingesting of the product : Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
1H-Imidazole,1-(2-propen-1-yl)- (CAS NO.31410-01-2) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, oxides of nitrogen, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, It should be stored in a cool, dry place, stored in a tightly closed container, or storedin a corrosives area.