CAS 107269-72-7

5-(Chloromethyl)-1-(4-nitrophenyl)-1H-tetrazole

Description:

5-(Chloromethyl)-1-(4-nitrophenyl)-1H-tetrazole, identified by its CAS number 107269-72-7, is a chemical compound characterized by its tetrazole ring, which is a five-membered aromatic heterocycle containing four nitrogen atoms. This compound features a chloromethyl group, which enhances its reactivity, and a nitrophenyl substituent that contributes to its electronic properties. The presence of the nitro group typically imparts significant polarity and can influence the compound's solubility and reactivity in various chemical environments. It is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. The compound's unique structure allows for potential applications in materials science and as a building block in the synthesis of more complex molecules. Safety considerations should be taken into account due to the presence of chlorine and nitro groups, which can pose hazards in terms of toxicity and environmental impact. Proper handling and disposal protocols are essential when working with this substance.

Formula: C₈H₆ClN₅O₂

InChI: InChI=1S/C8H6ClN5O2/c9-5-8-10-11-12-13(8)6-1-3-7(4-2-6)14(15)16/h1-4H,5H2

InChI key: InChIKey=UDRUPPHUONOWEL-UHFFFAOYSA-N

SMILES: C(Cl)C=1N(N=NN1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 5-(Chloromethyl)-1-(4-nitrophenyl)-1H-tetrazole
• 1H-Tetrazole, 5-(chloromethyl)-1-[p-nitrophenyl]-
• 1H-Tetrazole, 5-(chloromethyl)-1-(4-nitrophenyl)-