CAS 1192263-88-9

5-[4-Nitro-3-(trifluoromethyl)phenyl]-2H-tetrazole

Description:

5-[4-Nitro-3-(trifluoromethyl)phenyl]-2H-tetrazole is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. This compound features a nitro group and a trifluoromethyl group attached to a phenyl ring, contributing to its unique chemical properties. The presence of the nitro group typically enhances the compound's reactivity and can influence its electronic properties, while the trifluoromethyl group is known for imparting lipophilicity and stability. The tetrazole moiety is often associated with biological activity and can serve as a scaffold in medicinal chemistry. This compound may exhibit properties such as high thermal stability and potential applications in pharmaceuticals, agrochemicals, or materials science. Its specific interactions and reactivity would depend on the surrounding environment and the presence of other functional groups. As with many nitro-containing compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₈H₄F₃N₅O₂

InChI: InChI=1S/C8H4F3N5O2/c9-8(10,11)5-3-4(7-12-14-15-13-7)1-2-6(5)16(17)18/h1-3H,(H,12,13,14,15)

InChI key: InChIKey=UIXCEXLZCOXUSZ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(N(=O)=O)C=CC(=C1)C=2NN=NN2

Synonyms:

• 2H-Tetrazole, 5-[4-nitro-3-(trifluoromethyl)phenyl]-
• 5-[4-Nitro-3-(trifluoromethyl)phenyl]-2H-tetrazole