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| CAS No.: | 54624-57-6 |
|---|---|
| Name: | 2-BROMO-1H-BENZIMIDAZOLE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.034 |
| Synonyms: | 2-Bromobenzimidazole; |
| Density: | 1.77 g/cm3 |
| Melting Point: | 208 °C |
| Boiling Point: | 346 °C at 760 mmHg |
| Flash Point: | 163 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 28.68000 |
| LogP: | 2.32540 |
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Specification
The cas register number of 2-Bromo-1H-benzimidazole is 54624-57-6. It also can be called as 1H-Benzimidazole,2-bromo- and the IUPAC Name about this chemical is 2-bromo-1H-benzimidazole. It belongs to the following product categories, such as Benzimidazole, pharmacetical and so on.
Physical properties about 2-Bromo-1H-benzimidazole are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 68.68; (5)ACD/BCF (pH 7.4): 71.21; (6)ACD/KOC (pH 5.5): 707.59; (7)ACD/KOC (pH 7.4): 733.7; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82Å2; (11)Index of Refraction: 1.727; (12)Molar Refractivity: 44.3 cm3; (13)Molar Volume: 111.2 cm3; (14)Polarizability: 17.56x10-24cm3; (15)Surface Tension: 64.4 dyne/cm; (16)Enthalpy of Vaporization: 59.01 kJ/mol; (17)Vapour Pressure: 5.94E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)Br
(2)InChI: InChI=1S/C7H5BrN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
(3)InChIKey: PHPYXVIHDRDPDI-UHFFFAOYSA-N