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CAS 69922-28-7

:

3,4-(Methylenedioxy)phenyl isocyanate

Description:
3,4-(Methylenedioxy)phenyl isocyanate, with the CAS number 69922-28-7, is an organic compound characterized by the presence of both isocyanate and methylenedioxy functional groups. This compound features a phenyl ring substituted with a methylenedioxy group, which consists of two methylene (-CH2-) groups bridging two adjacent oxygen atoms. The isocyanate functional group (-N=C=O) is known for its reactivity, particularly in forming urea derivatives and participating in nucleophilic addition reactions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its physical properties, such as boiling point, melting point, and solubility, can vary based on environmental conditions and the presence of other substances. Safety precautions are essential when handling isocyanates due to their potential toxicity and irritant properties. Proper storage and handling protocols should be followed to mitigate risks associated with exposure.
Formula:C8H5NO3
InChI:InChI=1S/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2
InChI key:InChIKey=GTTXYMVUACJZRG-UHFFFAOYSA-N
SMILES:N(=C=O)C=1C=C2C(=CC1)OCO2
Synonyms:
  • (Benzo[d][1,3]dioxol-5-yl)isocyanate
  • 1,3-Benzodioxole, 5-isocyanato-
  • 5-Isocyanato-1,3-benzodioxole
  • 5-Isocyanato-2H-1,3-benzodioxole
  • 5-Isocyanatobenzodioxole
  • Benzo[1,3]dioxol-5-yl isocyanate
  • Benzodioxol-5-yl isocyanate
  • 3,4-(Methylenedioxy)phenyl isocyanate
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