4-Bromo-5-methyl-1H-1,2,3-triazole

Basic Information

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CAS Number

805315-83-7

Molecular Formula

C3H4BrN3

Molecular Weight

161.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

SMILES

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Cc1nn[nH]c1Br

InChI

InChI=1S/C3H4BrN3/c1-2-3(4)6-7-5-2/h1H3,(H,5,6,7)

InChIKey

DYZZACNOVJTLJW-UHFFFAOYSA-N

LogP

0.8756200000000001

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

5-Bromo-4-methyl-1H-1,2,3-triazole
4-bromo-5-methyl-2H-triazole

MDL Number

MFCD14706835

FAQ

What are the physical and chemical properties of 4-Bromo-5-methyl-1H-1,2,3-triazole (CAS: 805315-83-7)?

4-Bromo-5-methyl-1H-1,2,3-triazole is a crystalline solid with a molecular weight of approximately 225.02 g/mol. It has a solubility of about 12 mg/L in water and is slightly soluble in organic solvents. Chemically, it is stable under normal conditions but can react with strong reducing agents. It is a heterocyclic compound known for its aromatic and nucleophilic reactivity.

How is 4-Bromo-5-methyl-1H-1,2,3-triazole (CAS: 805315-83-7) typically synthesized?

4-Bromo-5-methyl-1H-1,2,3-triazole is typically synthesized via the reaction of 5-methyl-1H-1,2,3-triazole with bromine in the presence of an acid catalyst. The reaction is selective and yields a high percentage of the desired product with good purity.

What industries use 4-Bromo-5-methyl-1H-1,2,3-triazole (CAS: 805315-83-7)?

4-Bromo-5-methyl-1H-1,2,3-triazole finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of drugs, in the polymer industry for modifying properties of polymers, in sensor technology for detection applications, and in the semiconductor industry for etching and other processes.

What precautions should be taken when handling 4-Bromo-5-methyl-1H-1,2,3-triazole (CAS: 805315-83-7)?

When handling 4-Bromo-5-methyl-1H-1,2,3-triazole, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Dispose of any waste according to local regulations and keep a safety data sheet (SDS) on hand for reference. Ensure proper storage in a cool, dry place away from incompatible materials.