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| CAS No.: | 41292-65-3 |
|---|---|
| Name: | 1H-Benzimidazol-5-ol |
| Molecular Structure: | |
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| Formula: | C7H6N2O |
| Molecular Weight: | 134.137 |
| Synonyms: | 1H-Benzimidazol-5-ol(9CI); |
| Density: | 1.434 g/cm3 |
| Melting Point: | 220-222℃ |
| Boiling Point: | 469.135 °C at 760 mmHg |
| Flash Point: | 237.524 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 48.91000 |
| LogP: | 1.26850 |
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Specification
The 5-Hydroxybenzimidazole has the CAS registry number 41292-65-3. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C7H6N2O and molecular weight is 134.05. What's more, its systematic name is 1H-Benzimidazol-5-ol.
Physical properties of 5-Hydroxybenzimidazole are: (1)ACD/LogP: 0.683; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 21.87; (8)ACD/KOC (pH 7.4): 52.96; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.91 Å2; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 38.501 cm3; (15)Molar Volume: 93.525 cm3; (16)Polarizability: 15.263 10-24cm3; (17)Surface Tension: 80.19 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 237.524 °C; (20)Enthalpy of Vaporization: 75.941 kJ/mol; (21)Boiling Point: 469.135 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccc(O)cc1nc2
(2)Std. InChI: InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
(3)Std. InChIKey: KRKSOBREFNTJJY-UHFFFAOYSA-N