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4-(1H-1,2,4-Triazol-1-yl)phenol(CAS: 68337-15-5)

4-(1H-1,2,4-Triazol-1-yl)phenol
CAS Number

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Basic Information

Molecular Formula
C8H7N3O
Molecular Weight
161.16 g/mol

Physical Properties

Melting Point
254-257 °C
Boiling Point
287.45°C (rough estimate)
Density
1.2558 (rough estimate)

Chemical Identifiers

SMILES
C1=CC(=CC=C1N2C=NC=N2)O
InChIKey
ZOPIBCDDKMAEII-UHFFFAOYSA-N

Database References

MDL Number
MFCD00003096
Beilstein Registry Number
608492

FAQ

4-(1H-1,2,4-Triazol-1-yl)phenol (CAS: 68337-15-5) is a crystalline solid with a molecular weight of approximately 200.22 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity towards nucleophiles and its ability to participate in various functional group transformations. It also shows stability under normal storage conditions but undergoes hydrolysis in acidic or basic media.
4-(1H-1,2,4-Triazol-1-yl)phenol (CAS: 68337-15-5) can be synthesized via the condensation of 1-phenyl-1H-1,2,4-triazole with phenol, often catalyzed by a metal complex such as palladium(II) acetate. The reaction typically yields a high percentage of the desired product with good selectivity. The process involves heating the reactants under inert conditions, and the product can be isolated by filtration and recrystallization.
4-(1H-1,2,4-Triazol-1-yl)phenol (CAS: 68337-15-5) is utilized in pharmaceuticals for its potential as a precursor to antifungal and antiviral agents. It is also used in the polymer industry for the synthesis of functionalized polymers, in the development of sensors due to its optical properties, and in semiconductor manufacturing for etching and cleaning processes.
When handling 4-(1H-1,2,4-Triazol-1-yl)phenol (CAS: 68337-15-5), it is important to wear personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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