CAS 81595-03-1

5-(3-Bromophenyl)-2H-tetrazole-2-acetic acid

Description:

5-(3-Bromophenyl)-2H-tetrazole-2-acetic acid is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. The presence of the 3-bromophenyl group indicates that a bromine atom is substituted on the phenyl ring, contributing to the compound's unique reactivity and potential biological activity. The acetic acid functional group provides acidic properties, allowing for potential interactions in various chemical environments. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its structure suggests potential applications in areas such as agrochemicals or pharmaceuticals, particularly in the development of new therapeutic agents. Additionally, the presence of halogen atoms like bromine can influence the compound's lipophilicity and overall biological activity. As with many tetrazole derivatives, this compound may also participate in coordination chemistry, forming complexes with metal ions, which can be relevant in various industrial and research applications.

Formula: C₉H₇BrN₄O₂

InChI: InChI=1S/C9H7BrN4O2/c10-7-3-1-2-6(4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)

InChI key: InChIKey=BGORYZAIBVJRDC-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1N=C(N=N1)C2=CC(Br)=CC=C2

Synonyms:

• 2H-Tetrazole-2-acetic acid, 5-(3-bromophenyl)-
• 2-(5-(3-Bromophenyl)-2H-tetrazol-2-yl)acetic acid
• 2-[5-(3-Bromophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid
• 5-(3-Bromophenyl)-2H-tetrazole-2-acetic acid