Cas no 49759-35-5 (Bis(4-nitrophenyl) Octanedioate)

Bis(4-nitrophenyl) Octanedioate structure
49759-35-5 structure
Product Name:Bis(4-nitrophenyl) Octanedioate
CAS No:49759-35-5
MF:C20H20N2O8
MW:416.381405830383
CID:1542766
PubChem ID:256801
Update Time:2025-04-21

Bis(4-nitrophenyl) Octanedioate Chemical and Physical Properties

Names and Identifiers

    • Bis(4-nitrophenyl) Octanedioate
    • AC1Q610Q
    • bis(p-nitrophenyl) octane-1,8-dioate
    • NSC84146
    • di-p-nitrophenyl octanedionate
    • CTK4J1655
    • AG-K-10667
    • Korksaeure-bis-(4-nitro-phenylester)
    • AR-1I0372
    • Korksaeure-bis-&lt
    • 4-nitro-phenylester&gt
    • AC1L5VE9
    • AC1Q610Q; bis(p-nitrophenyl) octane-1,8-dioate; NSC84146; di-p-nitrophenyl octanedionate; CTK4J1655; AG-K-10667; Korksaeure-bis-(4-nitro-phenylester); AR-1I0372; Korksaeure-bis-< 4-nitro-phenylester> ; AC1L5VE9;
    • SCHEMBL570540
    • 49759-35-5
    • DTXSID70292617
    • bis-(p-nitrophenyl) suberate
    • NSC-84146
    • Bis-(4-nitrophenyl)suberate
    • Inchi： 1S/C20H20N2O8/c23-19(29-17-11-7-15(8-12-17)21(25)26)5-3-1-2-4-6-20(24)30-18-13-9-16(10-14-18)22(27)28/h7-14H,1-6H2
    • InChI Key： QPRJCXJSVYJEEB-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C(CCCCCCC(=O)OC1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 416.122
  • Monoisotopic Mass: 416.122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 533
  • 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
  • XLogP3: 4.4
  • Topological Polar Surface Area: 144?2

Experimental Properties

  • Density: 1.32
  • Boiling Point: 595.2°C at 760 mmHg
  • Flash Point: 237.1°C
  • Refractive Index: 1.578
  • PSA: 138.88
  • LogP: 5.40100

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