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Theophylline

  • CAS No:58-55-9 1,3-dimethyl-7H-purine-2,6-dione
    Molecular Structure

    Other Information

  • CAS Registry Number: 58-55-9
  • Transport: UN 2811
  • Melting Point: 270-274 ºC
  • Density: 1.465 g/cm3
  • Refractive index: 1.737
  • Water Solubility: 8.3 G/L (20 ºC)
  • Safety Statements: R22
  • Hazard Symbols: Xn: Harmful;
  • EINECS: 200-385-7
  • Molecular Weight: 180.16402
  • InchiKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
  • InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
  • Risk Statements: R22
  • Molecular Formula: C7H8N4O2