6-Bromo-4H-imidazo[4,5-b]pyridine supplier

Name
6-BROMO-4H-IMIDAZO[4,5-B]PYRIDINE
EINECS
CAS No. 28279-49-4
Article Data27
CAS DataBase
Density 1.895 g/cm³
Solubility
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
Appearance
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;
PSA 41.57000
LogP 1.72040

6-Bromo-4H-imidazo[4,5-b]pyridine Specification

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

Product Name

6-BROMO-4H-IMIDAZO[4,5-B]PYRIDINE

6-Bromo-4H-imidazo[4,5-b]pyridine Specification

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