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CAS 77159-76-3

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4-Bromo-2,6-dimethylphenyl isocyanate

Description:
4-Bromo-2,6-dimethylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a substituted phenyl ring. The compound features a bromine atom and two methyl groups at the 2 and 6 positions of the phenyl ring, contributing to its unique reactivity and physical properties. It is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. This compound is known for its use in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, due to the isocyanate group, which can react with amines, alcohols, and other nucleophiles. It is important to handle this substance with care, as isocyanates can be toxic and irritating to the respiratory system and skin. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential when working with this compound.
Formula:C9H8BrNO
InChI:InChI=1/C9H8BrNO/c1-6-3-8(10)4-7(2)9(6)11-5-12/h3-4H,1-2H3
SMILES:Cc1cc(cc(C)c1N=C=O)Br
Synonyms:
  • 5-Bromo-2-Isocyanato-1,3-Dimethylbenzene
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