Cas no 197251-71-1 (2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde)

2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde structure
197251-71-1 structure
Product Name:2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde
CAS No:197251-71-1
MF:C10H9NO6S
MW:271.246561765671
MDL:MFCD00216509
CID:908357
PubChem ID:2736965
Update Time:2025-04-19

2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(4-methylsulphonyl-2-nitrophenyl)malondialdehyde
    • 2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde
    • [4-(methylsulfonyl)-2-nitrophenyl]-propanedial
    • 2-[4-(methylsulphonyl)-2-nitrophenyl]malondialdehyde
    • AC1MC6KX
    • Ambpe2000322
    • CTK8F0420
    • KB-66883
    • 2-(4-METHYLSULPHONYL-2-NITROPHENYL)MALONDIALDEHYDE, 95
    • DTXSID70371734
    • 2-(4-(Methylsulfonyl)-2-nitrophenyl)malonaldehyde
    • XHA25171
    • Propanedial, 2-[4-(methylsulfonyl)-2-nitrophenyl]-
    • SCHEMBL2556698
    • [4-(Methanesulfonyl)-2-nitrophenyl]propanedial
    • AKOS026670488
    • 2-(4-methylsulphonyl-2-nitrophenyl) malondialdehyde
    • MFCD00216509
    • 2-(4-methylsulfonyl-2-nitrophenyl)propanedial
    • 197251-71-1
    • 2-(4-Methylsulphonyl-2-nitrophenyl)malondialdehyde,95%
    • MDL: MFCD00216509
    • Inchi: 1S/C10H9NO6S/c1-18(16,17)8-2-3-9(7(5-12)6-13)10(4-8)11(14)15/h2-7H,1H3
    • InChI Key: DEDOAYHMNVGYGD-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(C(C=O)C=O)=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 271.01507
  • Monoisotopic Mass: 271.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 426
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 0.1
  • Topological Polar Surface Area: 123?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.5682 (rough estimate)
  • Melting Point: 213-219°C
  • Boiling Point: 568.5°C at 760 mmHg
  • Flash Point: 297.6°C
  • Refractive Index: 1.7330 (estimate)
  • PSA: 114.58
  • LogP: 2.08370
  • Solubility: Not available

2-(4-Methylsulfonyl-2-nitrophenyl)malondialdehyde Pricemore >>

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