6-Bromo-1-methyl-1H-benzotriazole

Basic Information

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CAS Number

944718-32-5

Molecular Formula

C7H6BrN3

Molecular Weight

212.05 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

268 ºC

Density

1.78

Flash Point

116 ºC

Refractive Index

1.714

SMILES

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Cn1c2cc(ccc2nn1)Br

InChI

InChI=1S/C7H6BrN3/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,1H3

InChIKey

GPKHIVIGTSWNRM-UHFFFAOYSA-N

LogP

1.7308

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

153

Synonyms & References

English

6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole
6-Bromo-1-methyl-3a,7a-dihydro-1H-benzo[d][1,2,3]triazole
6-bromo-1-methyl-3a,7a-dihydro-1H-1,2,3-benzotriazole
6-bromo-1-methylbenzotriazole
1H-Benzotriazole, 6-bromo-3a,7a-dihydro-1-methyl-
6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole

MDL Number

MFCD11559050

FAQ

What are the physical and chemical properties of 6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5)?

6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5) has a crystalline form with a molecular weight of approximately 269.03 g/mol. It is slightly soluble in water and more soluble in polar solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is relatively stable but can undergo bromine substitution reactions under certain conditions.

How is 6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5) typically synthesized?

6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5) can be synthesized via the bromination of 1-methyl-1H-benzotriazole using bromine in the presence of a suitable base such as sodium hydroxide or potassium hydroxide. The reaction is typically carried out in water or a polar solvent like dimethyl sulfoxide (DMSO) under reflux conditions to improve yield and selectivity.

What industries use 6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5)?

6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5) finds application in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the development of functional polymers, and in the semiconductor industry for its use in etching processes. It is also used in sensor technology for its reactivity with various analytes.

What precautions should be taken when handling 6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5)?

When handling 6-Bromo-1-methyl-1H-benzotriazole (CAS: 944718-32-5), it is advisable to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated fume hood to minimize inhalation risks. In case of a spill, it should be carefully cleaned up and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.