Cas no 2166-27-0 (3,6-Pyridazinedicarboxylic acid, 4-phenyl-, dimethyl ester)

3,6-Pyridazinedicarboxylic acid, 4-phenyl-, dimethyl ester structure
2166-27-0 structure
Product Name:3,6-Pyridazinedicarboxylic acid, 4-phenyl-, dimethyl ester
CAS No:2166-27-0
MF:C14H12N2O4
MW:272.256083488464
CID:1408920
Update Time:2024-08-15

3,6-Pyridazinedicarboxylic acid, 4-phenyl-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3,6-Pyridazinedicarboxylic acid, 4-phenyl-, dimethyl ester
    • 3,6-Pyridazinedicarboxylic acid, 4-phenyl-, 3,6-dimethyl ester
    • Inchi: 1S/C14H12N2O4/c1-19-13(17)11-8-10(9-6-4-3-5-7-9)12(16-15-11)14(18)20-2/h3-8H,1-2H3
    • InChI Key: KHUCKSJRPBKMDE-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)=NN=C(C(OC)=O)C=C1C1=CC=CC=C1

Computed Properties

  • Exact Mass: 272.07976

Experimental Properties

  • Density: 1.254±0.06 g/cm3(Predicted)
  • Melting Point: 94.0-95.5 °C
  • Boiling Point: 498.7±45.0 °C(Predicted)
  • PSA: 78.38
  • pka: -1.56±0.10(Predicted)
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