CAS 727675-31-2

1-(5-Chloro-2-methyl-4-nitrophenyl)-1H-tetrazole

Description:

1-(5-Chloro-2-methyl-4-nitrophenyl)-1H-tetrazole is a chemical compound characterized by its tetrazole ring, which is a five-membered aromatic heterocycle containing four nitrogen atoms. This compound features a chloro substituent at the 5-position and a methyl and nitro group at the 2- and 4-positions, respectively, on the phenyl ring. The presence of these functional groups contributes to its unique chemical reactivity and potential applications. The chloro group can participate in nucleophilic substitution reactions, while the nitro group can influence the compound's electronic properties and reactivity. The tetrazole moiety is known for its stability and is often utilized in pharmaceuticals and agrochemicals due to its bioactivity. Additionally, the compound may exhibit interesting properties such as solubility in various organic solvents, which can be influenced by the substituents on the phenyl ring. Overall, this compound's structure suggests potential utility in various chemical applications, including as a building block in organic synthesis or as a precursor in the development of biologically active molecules.

Formula: C₈H₆ClN₅O₂

InChI: InChI=1S/C8H6ClN5O2/c1-5-2-8(14(15)16)6(9)3-7(5)13-4-10-11-12-13/h2-4H,1H3

InChI key: InChIKey=GRCATVOONKYEQC-UHFFFAOYSA-N

SMILES: CC1=C(C=C(Cl)C(N(=O)=O)=C1)N2C=NN=N2

Synonyms:

• 1-(5-Chloro-2-methyl-4-nitrophenyl)-1H-tetrazole
• 1H-Tetrazole, 1-(5-chloro-2-methyl-4-nitrophenyl)-