Cas no 2631-68-7 (Benzene,1,3,5-trichloro-2,4,6-trinitro-)

Benzene,1,3,5-trichloro-2,4,6-trinitro- structure
2631-68-7 structure
Product Name:Benzene,1,3,5-trichloro-2,4,6-trinitro-
CAS No:2631-68-7
MF:C6Cl3N3O6
MW:316.439698219299
CID:256777
PubChem ID:17518
Update Time:2025-04-19

Benzene,1,3,5-trichloro-2,4,6-trinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,3,5-trichloro-2,4,6-trinitro-
    • 1,3,5-Trichloro-2,4,6-trinitrobenzene
    • 1,3,5-trichlorotrinitrobenzene
    • Bulbosan
    • sym-Trichlorotrinitrobenzene
    • TCTNB
    • Trichloro-1,3,5-Trinitrobenzene
    • Benzene,3,5-trichloro-2,4,6-trinitro-
    • Trichloro-1,5-Trinitrobenzene
    • 2,4,6-Trichlor-1,3,5-trinitrobenzol
    • NSC 312457
    • 2,4,6-trinitro-1,3,5-trichlorobenzene
    • Q27262946
    • NSC-312457
    • 1,5-Trichloro-2,4,6-trinitrobenzene
    • TRICHLORO-2,4,6-TRINITROBENZENE, 1,3,5-
    • NSC312457
    • SCHEMBL3476651
    • Benzene, 1,3,5-trichloro-2,4,6-trinitro-
    • NIOSH/DC2470000
    • EINECS 220-115-1
    • Benzene, 2,4,6-trichloro-1,3,5-trinitro-
    • 2631-68-7
    • NS00028085
    • 5W43E2LG8X
    • DC24700000
    • AKOS000400738
    • DTXSID4062565
    • BRN 2063235
    • 2,4,6-Trichloro-1,3,5-trinitrobenzene
    • 1, 3, 5-trichloro-2, 4, 6-trinitrobenzene
    • UNII-5W43E2LG8X
    • 2,4,6-Trichlor-1,3,5-trinitrobenzol [German]
    • 4-05-00-00758 (Beilstein Handbook Reference)
    • Inchi： 1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16
    • InChI Key： LZMONXBJUOXABQ-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C(=C(C=1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 314.8854
  • Monoisotopic Mass: 314.885268
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 303
  • 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: nothing
  • Topological Polar Surface Area: 138

Experimental Properties

  • Density: 1.9924 (estimate)
  • Boiling Point: 319.45°C (rough estimate)
  • Flash Point: 197.9°C
  • Refractive Index: 1.677
  • PSA: 129.42
  • LogP: 4.94100

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