CAS 697-94-9

1-methyl-5-(trifluoromethyl)-1H-tetrazole

Description:

1-Methyl-5-(trifluoromethyl)-1H-tetrazole, with the CAS number 697-94-9, is a heterocyclic organic compound characterized by its tetrazole ring structure, which consists of four nitrogen atoms and one carbon atom. This compound features a methyl group and a trifluoromethyl group, which significantly influence its chemical properties and reactivity. The presence of the trifluoromethyl group enhances its lipophilicity and can impart unique electronic characteristics, making it useful in various applications, including pharmaceuticals and agrochemicals. 1-Methyl-5-(trifluoromethyl)-1H-tetrazole is known for its stability under certain conditions, but it can be sensitive to strong oxidizing agents. Its solubility in polar solvents and its ability to participate in nucleophilic substitution reactions are notable. Additionally, the compound's unique structure allows it to serve as a building block in the synthesis of more complex molecules, particularly in the development of bioactive compounds. Overall, its distinctive features make it a subject of interest in both synthetic and applied chemistry.

Formula: C₃H₃F₃N₄

InChI: InChI=1/C3H3F3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H3

SMILES: Cn1c(C(F)(F)F)nnn1

Synonyms:

• 1H-Tetrazole, 1-methyl-5- (trifluoromethyl)-
• 1-Methyl-5-(trifluoromethyl)tetrazole