CAS 1345471-93-3

5-Bromo-6-fluoro-1-(1-methylethyl)-1H-benzotriazole

Description:

5-Bromo-6-fluoro-1-(1-methylethyl)-1H-benzotriazole is a chemical compound characterized by its unique structure, which includes a benzotriazole core substituted with bromine and fluorine atoms, as well as an isopropyl group. This compound is typically a solid at room temperature and exhibits moderate solubility in organic solvents, making it useful in various chemical applications. The presence of halogen substituents (bromine and fluorine) often enhances the compound's reactivity and can influence its electronic properties, potentially making it valuable in pharmaceuticals, agrochemicals, or materials science. Additionally, benzotriazole derivatives are known for their applications as corrosion inhibitors and UV stabilizers. The specific functional groups present in this compound may also impart unique biological activities, warranting further investigation for potential therapeutic uses. Safety data should be consulted to understand its handling and toxicity, as halogenated compounds can exhibit varying degrees of environmental persistence and biological effects.

Formula: C₉H₉BrFN₃

InChI: InChI=1S/C9H9BrFN3/c1-5(2)14-9-4-7(11)6(10)3-8(9)12-13-14/h3-5H,1-2H3

InChI key: InChIKey=XLWBVPJNIOOHIS-UHFFFAOYSA-N

SMILES: C(C)(C)N1C=2C(=CC(Br)=C(F)C2)N=N1

Synonyms:

• 1H-Benzotriazole, 5-bromo-6-fluoro-1-(1-methylethyl)-
• 5-Bromo-6-fluoro-1-(1-methylethyl)-1H-benzotriazole