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CAS 5100-98-1

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3-Chloro-2-iodotoluene

Description:
3-Chloro-2-iodotoluene, with the CAS number 5100-98-1, is an organic compound that belongs to the class of halogenated toluenes. It features a toluene backbone substituted with both chlorine and iodine atoms at the 3 and 2 positions, respectively. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is characterized by its aromatic structure, which contributes to its stability and reactivity. The presence of halogen substituents enhances its electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. 3-Chloro-2-iodotoluene is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its physical properties, such as boiling point and solubility, can vary based on the specific conditions and purity of the sample. As with many halogenated compounds, it is important to handle this substance with care due to potential toxicity and environmental concerns associated with halogenated organic compounds.
Formula:C7H6ClI
InChI:InChI=1/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChI key:FTGLKPMFTLNUBN-UHFFFAOYSA-N
SMILES:Cc1cccc(c1I)Cl
Synonyms:
  • 1-Chloro-2-iodo-3-methylbenzene
  • Benzene, 1-chloro-2-iodo-3-methyl-
  • Toluene, 3-chloro-2-iodo-
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