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| CAS No.: | 927801-23-8 |
|---|---|
| Name: | 6-BROMO-4-IODOQUINOLINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H5BrIN |
| Molecular Weight: | 333.954 |
| Synonyms: | 6-Bromo-4-iodoquinoline ; quinoline, 6-bromo-4-iodo-; T66 BNJ EI HE; LogP |
| EINECS: | 200-258-5 |
| Density: | 2.154 g/cm3 |
| Boiling Point: | 375.5 °C at 760 mmHg |
| Flash Point: | 180.9 °C |
| PSA: | 12.89000 |
| LogP: | 3.60190 |
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- Total:28 Page 1 of 1 1
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Specification
The Quinoline,6-bromo-4-iodo-, with the CAS registry number 927801-23-8, has the molecular formula C9H5BrIN. Its molecular weight is 333.95. Its systematic name is called 6-bromo-4-iodoquinoline.
Physical properties of Quinoline,6-bromo-4-iodo-: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 505.93; (5)ACD/BCF (pH 7.4): 506.87; (6)ACD/KOC (pH 5.5): 2998.88; (7)ACD/KOC (pH 7.4): 3004.43; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.744; (10)Molar Refractivity: 62.78 cm3; (11)Molar Volume: 155 cm3; (12)Surface Tension: 59.9 dyne/cm; (13)Density: 2.154 g/cm3; (14)Flash Point: 180.9 °C; (15)Enthalpy of Vaporization: 59.86 kJ/mol; (16)Boiling Point: 375.5 °C at 760 mmHg; (17)Vapour Pressure: 1.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nccc(I)c2c1
(2)InChI: InChI=1/C9H5BrIN/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
(3)InChIKey: BWFLFNVNIISPPK-UHFFFAOYAI