CAS 890095-45-1

1H-Tetrazole, 1-(4-bromophenyl)-5-(chloromethyl)-

Description:

1H-Tetrazole, 1-(4-bromophenyl)-5-(chloromethyl)-, identified by CAS number 890095-45-1, is a heterocyclic compound featuring a tetrazole ring, which is a five-membered ring containing four nitrogen atoms and one carbon atom. This compound exhibits characteristics typical of tetrazoles, including potential acidity due to the presence of nitrogen atoms that can participate in proton transfer. The presence of the 4-bromophenyl group introduces significant lipophilicity and may enhance the compound's reactivity, while the chloromethyl substituent can serve as a reactive site for further chemical modifications. The compound is likely to be soluble in polar organic solvents, and its reactivity may be influenced by the electron-withdrawing nature of the bromine and chlorine substituents. Additionally, tetrazoles are known for their applications in pharmaceuticals and materials science, often serving as intermediates or active pharmaceutical ingredients due to their diverse biological activities. Safety and handling precautions should be observed, as halogenated compounds can pose health and environmental risks.

Formula: C₈H₆BrClN₄

InChI: InChI=1S/C8H6BrClN4/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14/h1-4H,5H2

InChI key: InChIKey=XZSXORLAFKCIIR-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Bromophenyl)-5-(chloromethyl)-1H-1,2,3,4-tetrazole
• 1-(4-Bromo-phenyl)-5-chloromethyl-1H-tetrazole
• 1H-Tetrazole, 1-(4-bromophenyl)-5-(chloromethyl)-