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| CAS No.: | 1072-63-5 |
|---|---|
| Name: | Vinylimidazole |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2 |
| Molecular Weight: | 94.116 |
| Synonyms: | Imidazole,1-vinyl- (6CI,7CI,8CI);1-Vinyl-1H-imidazole;1-Vinylimidazole;N-Vinylimidazole; |
| EINECS: | 214-012-0 |
| Density: | 1.038 g/cm3 |
| Melting Point: | 78-79 ºC |
| Boiling Point: | 191.8 ºC at 760 mmHg |
| Flash Point: | 69.8 ºC |
| Solubility: | Miscible with water. |
| Appearance: | Colorless to faint yellow transparent liquid |
| Hazard Symbols: |
 C, F
|
| Risk Codes: | 22-34-41 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3267 8/PG 2 |
| PSA: | 17.82000 |
| LogP: | 0.98360 |
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2-(imidazol-1-yl)ethyl chloride
- 1072-63-5
1-vinylimidazole
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydroquinone In isopropyl alcohol for 2h; Elimination; Heating; | 95% |
| Conditions | Yield |
|---|---|
| With mercury(II) diacetate; hydroquinone; trifluoroacetic acid at 70℃; for 3h; | 71% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In 1,4-dioxane | 70% |
| With copper dichloride In various solvent(s) at 180℃; under 76 - 380 Torr; for 20h; | 65% |
| copper(l) chloride In various solvent(s) for 28h; Product distribution; various time, acetylene sparging, packing diameter,; | 89 % Chromat. |
| Conditions | Yield |
|---|---|
| With cesium fluoride In acetonitrile for 48h; Heating; | 66% |
- 288-32-4
1H-imidazole
- 107-06-2
1,2-dichloro-ethane
A
- 1072-63-5
1-vinylimidazole
B
- 70780-90-4
1,1'-(1,2-ethanediyl)bis(imidazole)
| Conditions | Yield |
|---|---|
| Stage #1: 1H-imidazole With tetrabutylammomium bromide; potassium hydroxide at 20℃; for 1h; Inert atmosphere; Stage #2: 1,2-dichloro-ethane at 55℃; for 48h; Inert atmosphere; | A n/a B 65% |
| With potassium hydroxide; tetrabutylammomium bromide at 40℃; for 48h; | A 10% B 56% |
- 10464-67-2
1-(1H-imidazol-1-yl)ethyl acetate
- 1072-63-5
1-vinylimidazole
| Conditions | Yield |
|---|---|
| In water at 350 - 400℃; | 52% |
- 288-32-4
1H-imidazole
- 106-93-4
ethylene dibromide
A
- 1072-63-5
1-vinylimidazole
B
- 70780-90-4
1,1'-(1,2-ethanediyl)bis(imidazole)
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetrabutylammomium bromide In toluene at 60 - 80℃; for 72h; | A 10% B 45% |
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride; iron(III) chloride; copper at 50℃; for 24h; | 41% |
| With tetrabutyl ammonium fluoride; copper diacetate In 1,4-dioxane; N,N-dimethyl-formamide at 30℃; | 38% |
| Conditions | Yield |
|---|---|
| at 60℃; for 3h; | 100% |
| at 40℃; for 3h; Inert atmosphere; | 98% |
| at 40℃; for 2h; | 97% |
| Conditions | Yield |
|---|---|
| at 110℃; Continuous flow; neat (no solvent); | 100% |
| Microwave irradiation; | 82.6% |
| In tetrahydrofuran at 60℃; for 48h; | 51.63% |
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Specification
The 1-Vinylimidazole, with the CAS registry number 1072-63-5, has the IUPAC name of 1-ethenylimidazole. For a kind of colorless to faint yellow transparent liquid, it is sensitive to light, and is stable while incompatible with strong oxidizing agents. And its product categories are including Imidazol&Benzimidazole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazoles.
The physical properties of this chemical are as follows: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 8.26; (8)ACD/KOC (pH 7.4): 37.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 29.85 cm3; (15)Molar Volume: 98.6 cm3; (16)Polarizability: 11.83 ×10-24 cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 69.8 °C; (20)Enthalpy of Vaporization: 42.8 kJ/mol; (21)Boiling Point: 191.8 °C at 760 mmHg; (22)Vapour Pressure: 0.506 mmHg at 25°C; (23)Exact Mass: 94.053098; (24)MonoIsotopic Mass: 94.053098; (25)Topological Polar Surface Area: 17.8; (26)Heavy Atom Count: 7; (27)Complexity: 70.5.
When you are dealing with this chemical, you should be much more cautious. For one thing, it is corrosive which may destroy living tissue on contact. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C=CN1C=CN=C1
(2)InChI: InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
(3)InChIKey: OSSNTDFYBPYIEC-UHFFFAOYSA-N