Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-4H-imidazo[4,5-b]pyridine |
EINECS | N/A |
CAS No. | 28279-49-4 | Density | 1.895 g/cm3 |
PSA | 41.57000 | LogP | 1.72040 |
Solubility | N/A | Melting Point |
227-228℃ (water ) |
Formula | C6H4BrN3 | Boiling Point | 415.678 °C at 760 mmHg |
Molecular Weight | 198.022 | Flash Point | 205.195 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1H-Imidazo[4,5-b]pyridine,6-bromo- (8CI,9CI);Imidazo[4,5-b]pyridine, 6-bromo- (6CI);6-Bromo-1H-imidazo[4,5-b]pyridine;6-Bromo-3H-imidazo[4,5-b]pyridine;6-Bromo-4-azabenzimidazole; |
Article Data | 27 |
The 3H-Imidazo[4,5-b]pyridine,6-bromo-, with the CAS registry number 28279-49-4, is also known as 6-Bromo-3H-imidazo[4,5-b]pyridine. It belongs to the product categories of Pyridine; Halides; Fused Ring Systems. This chemical's molecular formula is C6H4BrN3 and formula weight is 198.02. What's more, its IUPAC name is 6-bromo-1H-imidazo[4,5-b]pyridine.
Physical properties of 3H-Imidazo[4,5-b]pyridine,6-bromo- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 106.23; (8)ACD/KOC (pH 7.4): 75.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.745; (14)Molar Refractivity: 42.4 cm3; (15)Molar Volume: 104.5 cm3; (16)Surface Tension: 76.9 dyne/cm; (17)Density: 1.894 g/cm3; (18)Flash Point: 205.2 °C; (19)Enthalpy of Vaporization: 64.28 kJ/mol; (20)Boiling Point: 415.7 °C at 760 mmHg; (21)Vapour Pressure: 9.76E-07 mmHg at 25°C.
Uses of 3H-Imidazo[4,5-b]pyridine,6-bromo-: it can be used to produce 6-bromo-1,3-dihydro-imidazo[4,5-b]pyridine-2-thione at the temperature of 250 - 260°C. It will need reagent S with the reaction time of 1 hour. The yield is about 99%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=NC=C1Br)N=CN2
(2)InChI: InChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H,(H,8,9,10)
(3)InChIKey: XPHWCAKVRKUXLK-UHFFFAOYSA-N