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Name |
Ethyl 4-benzimidazolecarboxylate |
EINECS | N/A |
CAS No. | 167487-83-4 | Density | 1.272 g/cm3 |
PSA | 54.98000 | LogP | 1.73960 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2O2 | Boiling Point | 417.554 °C at 760 mmHg |
Molecular Weight | 190.202 | Flash Point | 206.33 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Benzimidazole-4-carboxylicacid, ethyl ester (9CI); |
Article Data | 2 |
The Ethyl 4-benzimidazolecarboxylate, with the CAS registry number 167487-83-4, is also known as 1H-Benzimidazole-7-carboxylicacid, ethyl ester. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.20. What's more, its systematic name is Ethyl 1H-benzimidazole-4-carboxylate.
Physical properties of Ethyl 4-benzimidazolecarboxylate are: (1)ACD/LogP: 1.894; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 14.73; (6)ACD/BCF (pH 7.4): 16.15; (7)ACD/KOC (pH 5.5): 232.38; (8)ACD/KOC (pH 7.4): 254.69; (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: 1.627; (14)Molar Refractivity: 53.026 cm3; (15)Molar Volume: 149.495 cm3; (16)Polarizability: 21.021×10-24cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 206.33 °C; (20)Enthalpy of Vaporization: 67.096 kJ/mol; (21)Boiling Point: 417.554 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cccc2ncnc12
(2)Std. InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)7-4-3-5-8-9(7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
(3)Std. InChIKey: BIROFVBTDWNLKU-UHFFFAOYSA-N