6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine

Basic Information

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CAS Number

92276-38-5

Molecular Formula

C5H3BrN4

Molecular Weight

199.01 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

Melting Point

209 °C

Boiling Point

272.9°Cat760mmHg

Density

2.28

Flash Point

118.9°C

Refractive Index

1.767

SMILES

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Brc1cnc2[nH]nnc2c1

InChI

InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)

InChIKey

YKWWQNVTTSHHGH-UHFFFAOYSA-N

LogP

1.1153999999999995

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

131

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-Bromo-3H-[1,2,3]triazolo[4,5-b]pyridine
3H-1,2,3-Triazolo[4,5-b]pyridine,6-bromo-
6-BROMO-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE
6-bromo-2H-triazolo[4,5-b]pyridine
6-bromo-3H-1,2,3-Triazolo[4,5-b]pyridine
6-bromo-1H-[1,2,3]triazolo[4,5-b]pyridine(SALTDATA: FREE)
3H-v-Triazolo[4,5-b]pyridine, 6-bromo- (7CI)
6-Bromo-3H-1,2,3-triazolo[4,5-b]pyridine (ACI)
v-Triazolo[4,5-b]pyridine, 6-bromo- (6CI)
6-Bromo-1H-1,2,3-triazolo[4,5-b]pyridine
NSC 259161
6-bromo-3H-[1,2,3]triazolo[4,5-b]pyridine

MDL Number

MFCD04060716

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine (CAS: 92276-38-5)?

6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine is a crystalline solid with a molecular weight of approximately 232.05 g/mol. It is slightly soluble in water and has good solubility in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is moderately reactive and can undergo substitution reactions, making it useful for synthetic chemistry applications.

How is 6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine (CAS: 92276-38-5) typically synthesized?

6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine can be synthesized via a multistep process starting with the bromination of 1H-[1,2,3]triazolo[4,5-b]pyridine. This involves the use of bromine in presence of a suitable base such as potassium carbonate. The reaction is typically conducted in an aprotic solvent like DMSO. The product is isolated and purified by recrystallization from a suitable solvent.

What industries use 6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine (CAS: 92276-38-5)?

6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine is used in pharmaceuticals for its potential as a starting material or intermediate in drug synthesis. It also finds applications in the synthesis of sensors and semiconductors where its electronic properties are utilized. Additionally, it may be used in the development of new organic materials and polymers.

What precautions should be taken when handling 6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine (CAS: 92276-38-5)?

When handling 6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyridine, it is recommended to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up carefully, and proper disposal methods should be followed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.