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5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one(CAS: 1338226-21-3)

5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Number

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Basic Information

Molecular Formula
C4H6ClN3O
Molecular Weight
147.57 g/mol

Chemical Identifiers

SMILES
Cn1c(CCl)n[nH]c1=O
InChIKey
FFJXSRWDORQRPQ-UHFFFAOYSA-N

Database References

MDL Number
MFCD22741615

FAQ

5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is a solid compound with a molecular weight of approximately 189.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. It exhibits good reactivity, particularly towards nucleophiles and reducing agents. The compound crystallizes in the monoclinic system.
5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is synthesized through the condensation reaction of 4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one with chloroacetaldehyde. The reaction is typically catalyzed by a strong base such as potassium hydroxide, and it proceeds with good selectivity and moderate yield.
5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is primarily used in the pharmaceutical and chemical industries for its reactive functional groups. It also finds applications in the synthesis of new materials and as a reagent in organic chemistry.
When handling 5-(Chloromethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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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