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| CAS No.: | 78597-27-0 |
|---|---|
| Name: | 5-IODO-1H-BENZIMIDAZOLE |
| Molecular Structure: | |
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| Formula: | C7H5IN2 |
| Molecular Weight: | 244.035 |
| Synonyms: | 5-Iodobenzimidazole;5-Iodo-1H-benzimidazole;Benzimidazole, 5(or 6)-iodo- (7CI);1H-Benzimidazole,5-iodo- (9CI); |
| Density: | 2.082 g/cm3 |
| Melting Point: | 144-145 °C |
| Boiling Point: | 438.5 °C at 760 mmHg |
| Flash Point: | 219 °C |
| PSA: | 28.68000 |
| LogP: | 2.16750 |
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- Total:25 Page 1 of 1 1
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Specification
The 1H-Benzimidazole,6-iodo- is an organic compound with the formula C7H5IN2. The systematic name of this chemical is 6-iodo-1H-benzimidazole. With the CAS registry number 78597-27-0, it is also named as 5-Iodobenzimidazole.
Physical properties about 1H-Benzimidazole,6-iodo- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 44.78; (5)ACD/BCF (pH 7.4): 52.27; (6)ACD/KOC (pH 5.5): 505.99; (7)ACD/KOC (pH 7.4): 590.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.787; (12)Molar Refractivity: 49.52 cm3; (13)Molar Volume: 117.1 cm3; (14)Polarizability: 19.63×10-24cm3; (15)Surface Tension: 71.2 dyne/cm; (16)Density: 2.082 g/cm3; (17)Flash Point: 219 °C; (18)Enthalpy of Vaporization: 66.84 kJ/mol; (19)Boiling Point: 438.5 °C at 760 mmHg; (20)Vapour Pressure: 1.77E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc2ncnc2c1
(2)InChI: InChI=1/C7H5IN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(3)InChIKey: NQDPBRYGCUYBJM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5IN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(5)Std. InChIKey: NQDPBRYGCUYBJM-UHFFFAOYSA-N