3-bromo-1H-pyrazolo[3,4-b]pyridine

Basic Information

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CAS Number

68618-36-0

Molecular Formula

C6H4BrN3

Molecular Weight

198.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

356.229°C at 760 mmHg

Density

1.895

Flash Point

54 °C

Refractive Index

1.746

SMILES

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C1=CC2=C(NN=C2N=C1)Br

InChI

InChI=1S/C6H4BrN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)

InChIKey

ZGHQNXGPKYUHJW-UHFFFAOYSA-N

LogP

1.7204

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Synonyms & References

English

68618-36-0
3-Bromopyrazolo[3,4-b]pyridine
PS-4775
SCHEMBL1593049
ZGHQNXGPKYUHJW-UHFFFAOYSA-N
SY008436
FT-0684696
3-bromo-1H-pyrazolo[3,4-b]pyridine
A9127
AKOS006288299
J-511802
3-bromo-2H-pyrazolo[3,4-b]pyridine
3-Bromo-1H-?pyrazolo[3,4-?b]?pyridine
3-bromo-1H-pyrazolo[3,4-b]pyridine;3-Bromopyrazolo[3,4-b]pyridine
EN300-218524
3-Bromo-1H-pyrazolo[3,4-b]pyridine, AldrichCPR
AM20061441
BCP26513
PB32644
MFCD08669476
3-Bromo-7-aza-1H-indazole
CS-W010552
FD7340
A1-00105
DTXSID10499128
3-Bromo-1H-pyrazolo[3,4-b]pyridine
1H-Pyrazolo[3,4-b]pyridine,3-bromo-
C6H4BrN3
1H-PYRAZOLO[3,4-B]PYRIDINE, 3-BROMO-
3-Bromo-7-azaindazole
FCH862285

MDL Number

MFCD08669476

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0)?

3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0) is a crystalline solid with a molecular weight of approximately 246.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. This compound is moderately reactive, particularly towards nucleophiles and reducing agents. It can undergo substitution reactions and may form complexes with metal ions.

How is 3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0) typically synthesized?

3-bromo-1H-pyrazolo[3,4-b]pyridine is typically synthesized via the reaction of 1H-pyrazolo[3,4-b]pyridine with bromine in the presence of a base such as sodium hydroxide. The reaction is conducted in a solvent like acetic acid. The yield is generally around 70-80%, and the product is isolated by filtration and recrystallization.

What industries use 3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0)?

3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0) is used in the pharmaceutical industry for the development of certain drugs. It is also relevant in the polymer industry for the synthesis of special polymers with enhanced properties. Additionally, it finds applications in the production of sensors and as a precursor in the semiconductor industry.

What precautions should be taken when handling 3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0)?

When handling 3-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 68618-36-0), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the safety data sheet (SDS) for more detailed information on handling and storage.