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CAS 1138011-23-0

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1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?)

Description:
1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (CAS 1138011-23-0) is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a bromomethyl group attached to a phenyl ring, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The hydrobromide form indicates that it exists as a salt with hydrobromic acid, enhancing its solubility in polar solvents. The presence of water in its hydrate form suggests stability and influences its physical properties, such as melting point and solubility. Generally, triazole derivatives are known for their biological activity, including antifungal and antimicrobial properties, making this compound of interest for medicinal chemistry. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the precise conditions and formulation, but the overall structure suggests a versatile compound with potential applications in drug development and synthesis.
Formula:C9H8BrN3·xBrH·xH2O
InChI:InChI=1S/C9H8BrN3.BrH.H2O/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13;;/h1-4,6-7H,5H2;1H;1H2
InChI key:InChIKey=DNAWJHAKVANTPG-UHFFFAOYSA-N
SMILES:C(Br)C1=CC=C(C=C1)N2C=NC=N2.Br.O
Synonyms:
  • 1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?)
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