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| CAS No.: | 65550-82-5 |
|---|---|
| Name: | 2-BROMO-3-IODO-5-METHYLPYRIDINE |
| Molecular Structure: | |
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| Formula: | C6H5BrIN |
| Molecular Weight: | 297.921 |
| Synonyms: | 6-Bromo-5-iodo-3-picoline;2-Bromo-3-iodo-5-methylpyridine; |
| Density: | 2.171 g/cm3 |
| Melting Point: | 84-86 °C |
| Boiling Point: | 306.3 °C at 760 mmHg |
| Flash Point: | 139 °C |
| Appearance: | White or cream-colored crystals |
| PSA: | 12.89000 |
| LogP: | 2.75710 |
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- Total:21 Page 1 of 1 1
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Specification
The systematic name of Pyridine,2-bromo-3-iodo-5-methyl- is 2-bromo-3-iodo-5-methyl-pyridine. With the CAS registry number 65550-82-5, it is also named as 6-Bromo-5-iodo-3-picoline. The product's categories are Heterocyclic Compounds; Pyridines. Besides, it is white or cream-colored crystals, which should be stored sealed containers in a cool, dry place away from oxidizing agents and light. In addition, its molecular formula is C6H5BrIN and its molecular weight is 297.91907.
The other characteristics of Pyridine,2-bromo-3-iodo-5-methyl- can be summarized as: (1) ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 49.76 cm3; (11)Molar Volume: 137.1 cm3; (12)Polarizability: 19.72×10-24cm3; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 2.171 g/cm3; (15)Flash Point: 139 °C; (16)Melting Point: 84-86 °C; (17)Enthalpy of Vaporization: 52.5 kJ/mol; (18)Boiling Point: 306.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00141 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cnc(Br)c(I)c1
(2)InChI: InChI=1/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
(3)InChIKey: JRDURDSKNUSNRW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
(5)Std. InChIKey: JRDURDSKNUSNRW-UHFFFAOYSA-N