Cas no 94248-51-8 (Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI))

Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI) structure
94248-51-8 structure
Product Name:Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI)
CAS No:94248-51-8
MF:C18H6N8O18
MW:622.283043384552
CID:806350
PubChem ID:3024149
Update Time:2025-04-19

Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI)
    • 1,3-dinitro-2,4-bis(2,4,6-trinitrophenoxy)benzene
    • dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene
    • 94248-51-8
    • DTXSID20915889
    • 1,1'-[(2,4-Dinitro-1,3-phenylene)bis(oxy)]bis(2,4,6-trinitrobenzene)
    • Inchi： 1S/C18H6N8O18/c27-19(28)7-3-10(22(33)34)16(11(4-7)23(35)36)43-14-2-1-9(21(31)32)18(15(14)26(41)42)44-17-12(24(37)38)5-8(20(29)30)6-13(17)25(39)40/h1-6H
    • InChI Key： IJWBCTQOFIMTJQ-UHFFFAOYSA-N
    • SMILES： O(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C1C(=CC=C(C=1[N+](=O)[O-])OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 621.98
  • Monoisotopic Mass: 621.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 4
  • Complexity: 1140
  • 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: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 385?2

Experimental Properties

  • Density: 1.912
  • Boiling Point: 625.2°Cat760mmHg
  • Flash Point: 232.4°C
  • Refractive Index: 1.742

Benzene,dinitro-1,3-bis(2,4,6-trinitrophenoxy)- (9CI) Related Literature

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