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Name |
Pyridine,2-bromo-3-iodo-5-methyl- |
EINECS | N/A |
CAS No. | 65550-82-5 | Density | 2.171 g/cm3 |
PSA | 12.89000 | LogP | 2.75710 |
Solubility | N/A | Melting Point |
84-86 °C |
Formula | C6H5BrIN | Boiling Point | 306.3 °C at 760 mmHg |
Molecular Weight | 297.921 | Flash Point | 139 °C |
Transport Information | N/A | Appearance | White or cream-colored crystals |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-5-iodo-3-picoline;2-Bromo-3-iodo-5-methylpyridine; |
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