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CAS 423768-38-1

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1-Methyl-1H-benzotriazole-5-carbonyl chloride

Description:
1-Methyl-1H-benzotriazole-5-carbonyl chloride is a chemical compound characterized by its unique structure, which includes a benzotriazole ring substituted with a methyl group and a carbonyl chloride functional group. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. The presence of the carbonyl chloride group indicates that it can participate in nucleophilic acyl substitution reactions, making it a versatile building block in synthetic chemistry. Additionally, the benzotriazole moiety is known for its applications in corrosion inhibition and as a UV stabilizer. The compound is likely to be a solid at room temperature and may exhibit moderate to high reactivity due to the presence of the acyl chloride functional group, which can hydrolyze in the presence of moisture. Safety precautions should be taken when handling this compound, as it may be harmful if inhaled or ingested, and appropriate personal protective equipment should be used.
Formula:C8H6ClN3O
InChI:InChI=1S/C8H6ClN3O/c1-12-7-3-2-5(8(9)13)4-6(7)10-11-12/h2-4H,1H3
InChI key:InChIKey=WNWYKNCOAJIRNK-UHFFFAOYSA-N
SMILES:CN1C=2C(=CC(C(Cl)=O)=CC2)N=N1
Synonyms:
  • 1-methyl-1H-benzotriazole-5-carbonyl chloride
  • 1H-Benzotriazole-5-carbonyl chloride, 1-methyl-
  • 1-Methyl-1H-1,2,3-benzotriazole-5-carbonyl chloride
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