5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole

Basic Information

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CAS Number

944718-31-4

Molecular Formula

C7H6BrN3

Molecular Weight

212.05 g/mol

Basic Physical Properties

Density

1.76±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CN1C2=C(C=C(C=C2)Br)N=N1

InChI

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

InChIKey

PPUYITCIMJVKFE-UHFFFAOYSA-N

LogP

1.7308

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

153

Synonyms & References

English

5-bromo-1-methylbenzotriazole
5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole
5-bromo-1-methyl-1H-1,2,3-benzotriazole
AS06400
CM10633
AK151549
5-BROMO-1-METHYL-1,2,3-BENZOTRIAZOLE
Z1966565729
5-Bromo-1-methyl-1H-benzotriazole (ACI)
5-Bromo-1-methylbenzotriazole
PPUYITCIMJVKFE-UHFFFAOYSA-N
MFCD19288764
AKOS023413799
CS-0040388
DB-206630
5-Bromo-1-methyl-1H-benzo[d][1 pound not2 pound not3]triazole
5-Bromo-1-methyl-1h-benzotriazole
EN300-193546
944718-31-4
SCHEMBL12100525
F15530
Z1269133716
DS-9611
5-Bromo-1-methylbenzo[d][1,2,3]triazole
SY113951

MDL Number

MFCD19288764

FAQ

What is 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole (CAS: 944718-31-4)?

5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole is an organic compound with the CAS number 944718-31-4. It is a heterocyclic compound with a triazole ring containing a bromine substituent and a methyl group. It is known for its chemical stability and is used in various applications such as pharmaceuticals, research, and organic synthesis.

What are the main uses of 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole (CAS: 944718-31-4)?

5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole is primarily used in pharmaceutical research for synthesizing drug candidates. It is also utilized in organic synthesis as a functional group modifier. Additionally, it has applications in the development of new materials and as a reagent in various chemical reactions.

Is 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole (CAS: 944718-31-4) safe?

5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole is generally considered safe when handled properly. However, it is important to follow safety guidelines, including wearing appropriate protective equipment such as gloves and goggles. It should be stored away from heat and direct sunlight to avoid decomposition. Always consult the safety data sheet for detailed information.

How should 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole (CAS: 944718-31-4) be stored?

5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Proper storage will ensure its stability and effectiveness in various applications.