CAS 477890-28-1

1-(3,5-Dichlorophenyl)-5-methyl-4-nitro-1H-1,2,3-triazole

Description:

1-(3,5-Dichlorophenyl)-5-methyl-4-nitro-1H-1,2,3-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a dichlorophenyl group, which contributes to its hydrophobic characteristics and potential biological activity. The presence of a nitro group at the 4-position enhances its reactivity and may influence its electronic properties, making it a candidate for various applications, including agrochemicals and pharmaceuticals. The methyl group at the 5-position can affect the compound's solubility and stability. Overall, this compound exhibits properties typical of triazoles, such as potential fungicidal or herbicidal activity, and its specific substituents can modulate its interactions with biological targets. Its CAS number, 477890-28-1, allows for easy identification and retrieval of information regarding its synthesis, safety data, and regulatory status. As with all chemical substances, proper handling and safety precautions should be observed when working with this compound.

Formula: C₉H₆Cl₂N₄O₂

InChI: InChI=1S/C9H6Cl2N4O2/c1-5-9(15(16)17)12-13-14(5)8-3-6(10)2-7(11)4-8/h2-4H,1H3

InChI key: InChIKey=FZDUGHGBCVXTGO-UHFFFAOYSA-N

SMILES: CC=1N(N=NC1N(=O)=O)C2=CC(Cl)=CC(Cl)=C2

Synonyms:

• 1H-1,2,3-Triazole, 1-(3,5-dichlorophenyl)-5-methyl-4-nitro-
• 1-(3,5-Dichlorophenyl)-5-methyl-4-nitro-1H-1,2,3-triazole