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| CAS No.: | 51605-32-4 |
|---|---|
| Name: | ETHYL 5-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H10N2O2 |
| Molecular Weight: | 154.169 |
| Synonyms: | 1H-Imidazole-4-carboxylicacid, 5-methyl-, ethyl ester (9CI);Imidazole-4(or 5)-carboxylic acid, 5(or 4)-methyl-,ethyl ester (6CI);4-Carbethoxy-5-methylimidazole;5-Ethoxycarbonyl-4-methylimidazole;5-Methyl-1H-imidazole-4-carboxylic acidethyl ester;5-Methyl-4-ethoxycarbonylimidazole;Ethyl 4-methyl-1H-imidazole-5-carboxylate;Ethyl 4-methylimidazole-5-carboxylate;Ethyl5-methyl-1H-imidazole-4-carboxylate;NSC195976; |
| EINECS: | 257-315-3 |
| Density: | 1.171 g/cm3 |
| Melting Point: | 204-206 °C(lit.) |
| Boiling Point: | 323.663 °C at 760 mmHg |
| Flash Point: | 149.546 °C |
| Appearance: | off-white to yellow crystalline powder |
| Safety: | 24/25 |
| PSA: | 54.98000 |
| LogP: | 0.89480 |
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Specification
The Ethyl 4-methyl-5-imidazolecarboxylate with the cas number 51605-32-4. It is also called (1) 1H-Imidazole-4-carboxylic acid, 5-methyl-, ethyl ester ; (2) 4-Carboethoxy-5-methylimidazole ; (3) 1H-Imidazole-5-carboxylic acid, 4-methyl-, ethyl ester ; (4) Ethyl 4-methylimidazole-5-carboxylate. It belongs to the following product categories:(1)pharmacetical; (2)Imidazol&Benzimidazole; (3)Heterocyclic Compounds; (4)Imidaxoles; (5)Building Blocks; (6)Heterocyclic Building Blocks; (7)Imidazoles and so on.
Properties of Ethyl 4-methyl-5-imidazolecarboxylate: (1)ACD/LogP: 0.94 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.904 ; (4)ACD/LogD (pH 7.4): 0.942 ; (5)ACD/BCF (pH 5.5): 2.804 ; (6)ACD/BCF (pH 7.4): 3.058 ; (7)ACD/KOC (pH 5.5): 70.999 ; (8)ACD/KOC (pH 7.4): 77.444 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 54.98 Å2 ; (13)Index of Refraction: 1.52 ; (14)Molar Refractivity: 40.008 cm3 ; (15)Molar Volume: 131.654 cm3 ; (16)Polarizability: 15.861 ×10-24cm3 ; (17)Surface Tension: 46.236 dyne/cm ; (18)Density: 1.171 g/cm3 ; (19)Flash Point: 149.546 °C ; (20)Enthalpy of Vaporization: 56.562 kJ/mol ; (21)Boiling Point: 323.663 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25°C
The Ethyl 4-methyl-5-imidazolecarboxylate is quite harmful to eyes and skin. In contact of your eyes, flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. And if contact your skin, Get medical aid, flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Store it in a cool, dry place and store it in a tightly closed container. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray, dry chemical, carbon dioxide, or chemical foam as extinguishing media.
You can still convert the following datas into molecular structure :
1. SMILES: CCOC(=O)c1c(nc[nH]1)C
2. InChI:InChI=1/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)