CAS 70965-23-0
:methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Description:
Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a nitro group (-NO2) at the 3-position of the triazole, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The acetate group (-COOCH3) attached to the triazole enhances its solubility and reactivity, making it suitable for further chemical modifications. Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its properties, such as melting point, boiling point, and solubility, can vary based on purity and environmental factors. As with many nitro-containing compounds, it may possess explosive or hazardous characteristics, necessitating careful handling and storage. Overall, this compound's unique structure and functional groups make it of interest for synthetic chemistry and potential applications in various scientific domains.
Formula:C5H6N4O4
InChI:InChI=1/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
SMILES:COC(=O)Cn1cnc(n1)N(=O)=O
Synonyms:- (3-Nitro-[1,2,4]triazol-1-yl)-acetic acid methyl ester
- 1H-1,2,4-triazole-1-acetic acid, 3-nitro-, methyl ester
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