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Name |
2-Bromo-6-iodopyridine |
EINECS | -0 |
CAS No. | 234111-08-1 | Density | 2.347g/cm3 |
PSA | 12.89000 | LogP | 2.44870 |
Solubility | N/A | Melting Point |
139-143℃ |
Formula | C5H3BrIN | Boiling Point | 286.7 °C at 760 mmHg |
Molecular Weight | 283.894 | Flash Point | 127.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-6-iodopyridine;2-Iodo-6-bromopyridine; |
Article Data | 8 |
The 2-Bromo-6-iodopyridine, with CAS registry number 234111-08-1, belongs to the following product categories: (1)Pyridine series; (2)Halides; (3)Pyridines; (4)Heterocycle. Its systematic name and its IUPAC name are the same, which is 2-bromo-6-iodopyridine. Besides this, it is also called pyridine, 2-bromo-6-iodo-. And the chemical formula of this chemical is C5H3BrIN.
Physical properties of 2-Bromo-6-iodopyridine: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.32; (6)ACD/BCF (pH 7.4): 59.32; (7)ACD/KOC (pH 5.5): 646.94; (8)ACD/KOC (pH 7.4): 646.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 44.94 cm3; (15)Molar Volume: 120.9 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Enthalpy of Vaporization: 50.47 kJ/mol; (19)Vapour Pressure: 0.00448 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1nc(Br)ccc1
(2)InChI: InChI=1/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
(3)InChIKey: KJOQMWRTNVBXEV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
(5)Std. InChIKey: KJOQMWRTNVBXEV-UHFFFAOYSA-N