Cas no 101126-67-4 (Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-)

Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro- structure
101126-67-4 structure
Product Name:Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-
CAS No:101126-67-4
MF:C12H3Cl4NO4
MW:366.968519449234
CID:149066
PubChem ID:149104
Update Time:2025-04-19

Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-
    • 1,3,7,8-tetrachloro-2-nitrodibenzo-p-dioxin
    • 1,3,7,8-Tetrachloro-2-nitrooxanthrene
    • DIBENZO(B,E)(1,4)DIOXIN, 1,3,7,8-TETRACHLORO-2-NITRO-
    • 2-Nitro-1,3,7,8-tetrachlorodibenzo-p-dioxin
    • 101126-67-4
    • CHEMBL352987
    • DTXSID60143745
    • UNII-7U1CSL8H7N
    • CCRIS 2668
    • 7U1CSL8H7N
    • Inchi: 1S/C12H3Cl4NO4/c13-4-1-7-8(2-5(4)14)21-12-9(20-7)3-6(15)11(10(12)16)17(18)19/h1-3H
    • InChI Key: YCAPHOOJTVTGBO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=CC2=C1OC1C=C(C(=CC=1O2)Cl)Cl)Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 364.88179
  • Monoisotopic Mass: 364.882
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 423
  • 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: 5.8
  • Topological Polar Surface Area: 64.3?2

Experimental Properties

  • Density: 1.765
  • Boiling Point: 488°C at 760 mmHg
  • Flash Point: 248.9°C
  • Refractive Index: 1.679
  • PSA: 61.6
  • LogP: 6.62960
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