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5-isocyanato-1,3-benzodioxole
Weight163.132 g/mol
FormulaC8H5NO3
Hydrogen Acceptors4
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds1

5-isocyanato-1,3-benzodioxole (69922-28-7)

69922-28-7

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Alternate Names

  • 69922-28-7
  • SMILES
    C1OC2=C(O1)C=C(C=C2)N=C=O
  • InChIKey
    GTTXYMVUACJZRG-UHFFFAOYSA-N

Estimated Properties

Boiling Point 256.6 C EPA T.E.S.T.
Boiling Point 237.5 C EPI Suite
Density 1.22 g/cm3 EPA T.E.S.T.
Flash Point 101.1 C EPA T.E.S.T.
Melting Point 41.76 C EPI Suite
Water Solubility 142.51 mg/L EPI Suite

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