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Ethyl 4-methyl-5-imidazolecarboxylate

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Name

Ethyl 4-methyl-5-imidazolecarboxylate

EINECS 257-315-3
CAS No. 51605-32-4 Density 1.171 g/cm3
PSA 54.98000 LogP 0.89480
Solubility N/A Melting Point 204-206 °C(lit.)
Formula C7H10N2O2 Boiling Point 323.663 °C at 760 mmHg
Molecular Weight 154.169 Flash Point 149.546 °C
Transport Information N/A Appearance off-white to yellow crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 51605-32-4 (ETHYL 5-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE) Hazard Symbols N/A
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;

Article Data 6

Ethyl 4-methyl-5-imidazolecarboxylate 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)

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