Basic information
- Name:
1H-Imidazole,2-ethyl-
- Superlist Name:
- 2-Ethylimidazole
- CAS No.:
1072-62-4
- Molecular Structure:
- Formula:
- C5H8N2
- Molecular Weight:
- 96.13
- Deleted CAS:
- 81833-72-9
- Synonyms:
- Imidazole,2-ethyl- (6CI,7CI,8CI);2-Ethyl-1H-imidazole;Curezol 2EZ;
- EINECS:
- 214-011-5
- Density:
- 1.024 g/cm3
- Melting Point:
- 78-81 °C(lit.)
- Boiling Point:
- 268 °C at 760 mmHg
- Flash Point:
- 133.1 °C
- Appearance:
- White to slightly yellow flakes
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 36/37/38-41-38-22
- Safety Description:
- 26-36-37/39 Details
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Specification
The 1H-Imidazole,2-ethyl- with CAS registry number of 1072-62-4 is also called 2-Ethylimidazole. The IUPAC name is 2-ethyl-1H-imidazole. Its EINECS registry number is 214-011-5. In addition, the formula is C5H8N2 and the molecular weight is 96.13. It is belongs to the classes of Imidaxoles; Building Blocks; Heterocyclic Building Blocks; Imidazoles. What's more, it is a kind of white to slightly yellow flakes. It should be stored in cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 28.32 cm3; (15)Molar Volume: 93.7 cm3; (16)Polarizability: 11.22 ×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 48.57 kJ/mol; (21)Boiling Point: 268 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.
Preparation of 1H-Imidazole,2-ethyl-: it can be prepared by 2-ethyl-4,5-dihydro-1H-imidazole. This reaction will need reagent KMnO4 and 90percent aq. HCOOH. The reaction time is 10 hours by heating. The yield is about 90.3%.
Uses of 1H-Imidazole,2-ethyl-: it can be used in instruments, meters, all kinds of electrical components, chemical machinery, vehicles and defense industry for bonding, encapsulation, coating and laminating pressure. It also can used as epoxy curing agents. What's more, it can react with 4-ethyl-5-(4-fluoro-benzoyl)-1,3-dihydro-imidazol-2-one to get 4-ethyl-5-[4-(2-ethyl-imidazol-1-yl)-benzoyl]-1,3-dihydro-imidazol-2-one. The reaction time is 40 hours at the temperature of 140-155 °C. The yield is about 63%.
![1H-Imidazole,2-ethyl- can react with 4-ethyl-5-(4-fluoro-benzoyl)-1,3-dihydro-imidazol-2-one to get 4-ethyl-5-[4-(2-ethyl-imidazol-1-yl)-benzoyl]-1,3-dihydro-imidazol-2-one.](/UserFilesUpload/Uses of 1H-Imidazole,2-ethyl-.gif)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it is harmful if swallowed and has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc1CC
(2)InChI: InChI=1/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
(3)InChIKey: PQAMFDRRWURCFQ-UHFFFAOYAK
