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Ethyl 4-benzimidazolecarboxylate

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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 Molecular Structure of 167487-83-4 (1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)) Hazard Symbols N/A
Synonyms

1H-Benzimidazole-4-carboxylicacid, ethyl ester (9CI);

Article Data 2

Ethyl 4-benzimidazolecarboxylate Specification

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

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