CAS 876316-31-3

1-[(2-Iodophenyl)methyl]-1H-1,2,4-triazole

Description:

1-[(2-Iodophenyl)methyl]-1H-1,2,4-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 2-iodophenyl group attached to a methyl group, contributing to its unique properties and potential applications. The presence of the iodine atom enhances its reactivity and may influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. The triazole moiety is known for its role in various pharmacological activities, including antifungal and antibacterial properties. Additionally, the compound's structure suggests potential interactions with biological targets, which could be explored for therapeutic purposes. Its CAS number, 876316-31-3, allows for precise identification and retrieval of information in chemical databases. Overall, this compound exemplifies the diverse functionalities that can arise from modifications of heterocyclic frameworks, making it a subject of interest in both synthetic and applied chemistry.

Formula: C₉H₈IN₃

InChI: InChI=1S/C9H8IN3/c10-9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2

InChI key: InChIKey=NDJIYFFWZVACMJ-UHFFFAOYSA-N

SMILES: C(C1=C(I)C=CC=C1)N2C=NC=N2

Synonyms:

• 1H-1,2,4-Triazole, 1-[(2-iodophenyl)methyl]-
• 1-(2-Iodobenzyl)-1H-1,2,4-triazole
• 1-[(2-Iodophenyl)methyl]-1H-1,2,4-triazole

1-(2-Iodobenzyl)-1H-1,2,4-triazole

CAS: 876316-31-3

1-(2-Iodobenzyl)-1H-1,2,4-triazole

Formula: C₉H₈IN₃

Purity: 97%

Color and Shape: yellow to pale orange solid

Molecular weight: 285.08g/mol

Ref: 54-OR2053