3-Bromo-1H-pyrazolo[3,4-b]pyridine supplier

Name
1H-PYRAZOLO[3,4-B]PYRIDINE, 3-BROMO-
EINECS
CAS No. 68618-36-0
Article Data8
CAS DataBase
Density 1.895 g/cm³
Solubility
Melting Point 170-171 °C
Formula C₆H₄BrN₃
Boiling Point 356.229 °C at 760 mmHg
Molecular Weight 198.022
Flash Point 169.242 °C
Transport Information
Appearance
Safety 45-36/37
Risk Codes 25-20/21/22
Molecular Structure
Hazard Symbols T
Synonyms 3-Bromo-1H-pyrazolo[3,4-b]pyridine;Bromopyrazolopyridine;
PSA
LogP

3-Bromo-1H-pyrazolo[3,4-b]pyridine Specification

The 1H-Pyrazolo[3,4-b]pyridine,3-bromo-, with the CAS registry number 68618-36-0, is also known as Bromopyrazolopyridine. This chemical's molecular formula is C₆H₄BrN₃ and formula weight is 198.02. What's more, its systematic name is 3-bromo-1H-pyrazolo[3,4-b]pyridine.

Physical properties of 1H-Pyrazolo[3,4-b]pyridine,3-bromo- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 76; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.746; (12)Molar Refractivity: 42.401 cm³; (13)Molar Volume: 104.504 cm³; (14)Surface Tension: 76.935 dyne/cm; (15)Density: 1.895 g/cm³; (16)Flash Point: 169.242 °C; (17)Enthalpy of Vaporization: 57.775 kJ/mol; (18)Boiling Point: 356.229 °C at 760 mmHg.

Preparation: this chemical can be prepared by 3-Diazapyrazolo[3,4-b]pyridine by heating. This reaction will need reagent 48% hydrobromic acid with the reaction time of 35 min. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nnc1ncccc12
(2)InChI: InChI=1S/C6H4BrN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
(3)InChIKey: ZGHQNXGPKYUHJW-UHFFFAOYSA-N

Product Name

1H-PYRAZOLO[3,4-B]PYRIDINE, 3-BROMO-

3-Bromo-1H-pyrazolo[3,4-b]pyridine Specification

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