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4-Bromo-5-methyl-1H-pyrazol-3(2H)-one(CAS: 89363-91-7)

4-Bromo-5-methyl-1H-pyrazol-3(2H)-one
CAS Number

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Basic Information

Molecular Formula
C4H5BrN2O
Molecular Weight
177 g/mol

Chemical Identifiers

SMILES
CC1=C(C(=O)NN1)Br
InChIKey
JFEULJIQSHXRQK-UHFFFAOYSA-N

Database References

MDL Number
MFCD23725567

FAQ

4-Bromo-5-methyl-1H-pyrazol-3(2H)-one is a solid at room temperature with a crystalline form. Its molecular weight is approximately 198.03 g/mol. The compound is slightly soluble in water but soluble in common organic solvents like dichloromethane and acetonitrile. It is known for its reactivity towards nucleophiles and electrophiles, showing moderate stability under neutral conditions.
4-Bromo-5-methyl-1H-pyrazol-3(2H)-one is typically synthesized by the bromination of 5-methyl-1H-pyrazol-3(2H)-one using N-bromosuccinimide (NBS) in the presence of a radical initiator such as azobisisobutyronitrile (AIBN). The reaction is carried out in an organic solvent like dichloromethane. The yield is generally around 70-80%, and the product is isolated by recrystallization from a suitable solvent.
4-Bromo-5-methyl-1H-pyrazol-3(2H)-one is used in various industries, including pharmaceuticals and fine chemicals. It serves as a precursor in the synthesis of other compounds and is also utilized in the development of materials for sensors and semiconductors. Its ability to react with a variety of functional groups makes it valuable in the development of new chemical entities and functional materials.
When handling 4-Bromo-5-methyl-1H-pyrazol-3(2H)-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from incompatible materials. In case of spill, it should be cleaned up using appropriate methods, and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and safety information.

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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