Methyl 1-methylimidazole-5-carboxylate supplier

Name
Methyl 1-methylimidazole-5-carboxylate
EINECS 1806241-263-5
CAS No. 17289-20-2
Article Data3
CAS DataBase
Density 1.188 g/cm³
Solubility
Melting Point 48-50°C
Formula C₆H₈N₂O₂
Boiling Point 284.625 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 125.937 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Imidazole-5-carboxylicacid, 1-methyl-, methyl ester (6CI,7CI,8CI);3-Methyl-3H-imidazole-4-carboxylicacid methyl ester;5-Carbomethoxy-1-methylimidazole;Methyl1-methyl-1H-imidazole-5-carboxylate;Methyl 1-methylimidazole-5-carboxylate;methyl 3-methylimidazole-4-carboxylate;
PSA 44.12000
LogP 0.20670

Methyl 1-methylimidazole-5-carboxylate Specification

The Methyl 1-methylimidazole-5-carboxylate, with the CAS registry number 17289-20-2, has the systematic name of methyl 1-methyl-1H-imidazole-5-carboxylate. It belongs to the following product categories: Blocks; Carboxes; Imidazoles. And the molecular formula of the chemical is C₆H₈N₂O₂.

The characteristics of Methyl 1-methylimidazole-5-carboxylate are as followings: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.77; (8)ACD/KOC (pH 7.4): 17.81; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 36.52 cm³; (15)Molar Volume: 117.9 cm³; (16)Polarizability: 14.47×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 125.9 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 284.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00294 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1cncn1C
(2)InChI: InChI=1/C6H8N2O2/c1-8-4-7-3-5(8)6(9)10-2/h3-4H,1-2H3
(3)InChIKey: AKDPLDCXQNEMCL-UHFFFAOYAG

Product Name

Methyl 1-methylimidazole-5-carboxylate

Methyl 1-methylimidazole-5-carboxylate Specification

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