Ethyl imidazole-2-carboxylate supplier

Name
ETHYL IMIDAZOLE-2-CARBOXYLATE
EINECS -0
CAS No. 33543-78-1
Article Data9
CAS DataBase
Density 1.214 g/cm³
Solubility
Melting Point 176-178 °C
Formula C₆H₈N₂O₂
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 116.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Imidazole-2-carboxylicacid, ethyl ester (8CI);Ethyl 1H-imidazole-2-carboxylate;Ethylimidazole-2-carboxylate;Ethyl imidazole-2-carboxylate;
PSA 54.98000
LogP 0.58640

Ethyl imidazole-2-carboxylate Specification

The cas register number of Ethyl imidazole-2-carboxylate is 33543-78-1. It also can be called as 1H-imidazole-2-carboxylic acid, ethyl ester and the Systematic name about this chemical is ethyl 1H-imidazole-2-carboxylate.

Physical properties about Ethyl imidazole-2-carboxylater are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.32; (8)ACD/KOC (pH 7.4): 45.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 35.18 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 13.94 10-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 116.8 °C; (20)Enthalpy of Vaporization: 50.76 kJ/mol; (21)Boiling Point: 269.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00723 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OCC)c1nccn1
2.InChI: InChI=1/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8)
3.InChIKey: UHYNYIGCGVDBTC-UHFFFAOYAR
4.Std. InChI: InChI=1S/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8)

Product Name

ETHYL IMIDAZOLE-2-CARBOXYLATE

Ethyl imidazole-2-carboxylate Specification

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