Cas no 72503-59-4 (Benzonitrile, 2-(3-hydroxyphenoxy)-5-nitro-)

Benzonitrile, 2-(3-hydroxyphenoxy)-5-nitro- structure
72503-59-4 structure
Product Name:Benzonitrile, 2-(3-hydroxyphenoxy)-5-nitro-
CAS No:72503-59-4
MF:C13H8N2O4
MW:256.213623046875
CID:1756013
Update Time:2024-11-18

Benzonitrile, 2-(3-hydroxyphenoxy)-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-(3-hydroxyphenoxy)-5-nitro-
    • Inchi: 1S/C13H8N2O4/c14-8-9-6-10(15(17)18)4-5-13(9)19-12-3-1-2-11(16)7-12/h1-7,16H
    • InChI Key: RRVRJGXPWFSHFZ-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC([N+]([O-])=O)=CC=C1OC1=CC=CC(O)=C1

Computed Properties

  • Exact Mass: 256.04844

Experimental Properties

  • Density: 1.46±0.1 g/cm3(Predicted)
  • Boiling Point: 417.9±45.0 °C(Predicted)
  • PSA: 96.39
  • pka: 9.03±0.10(Predicted)
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