KEGG   COMPOUND: C07557Help
Entry
C07557                      Compound                               
Name
2,3,7,8-Tetrachlorodibenzodioxin;
Tetrachlorodibenzodioxin;
2,3,7,8-Tetrachlorodibenzo-p-dioxin;
TCDD;
PCDD 48
Formula
C12H4Cl4O2
Exact mass
319.8965
Mol weight
321.971
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Polychlorinated dibenzodioxins (PCDDs)
Persistent organic pollutants (POPs)
IARC Group 1
Pathway
Dioxin degradation
Brite
Endocrine disrupting compounds [BR:br08006]
 Dioxins and dioxin-like compounds
  PCDDs
   C07557  2,3,7,8-Tetrachlorodibenzodioxin (PCDD 48)
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C07557  2,3,7,8-Tetrachlorodibenzodioxin
BRITE hierarchy
Other DBs
CAS: 
1746-01-6
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C8y C    26.1393  -16.0999
            2   C8y C    26.1276  -17.4942
            3   O2x O    24.9258  -15.4058
            4   C8x C    27.3586  -15.4115
            5   O2x O    24.9142  -18.1942
            6   C8x C    27.3353  -18.2118
            7   C8y C    23.7066  -16.0882
            8   C8y C    28.5662  -16.1175
            9   C8y C    23.7066  -17.4884
            10  C8y C    28.5546  -17.5175
            11  C8x C    22.4990  -15.3882
            12  X   Cl   29.7739  -15.4115
            13  C8x C    22.4931  -18.1885
            14  X   Cl   29.7622  -18.2235
            15  C8y C    21.2797  -16.0882
            16  C8y C    21.2797  -17.4884
            17  X   Cl   20.0661  -15.3882
            18  X   Cl   20.0661  -18.1885
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   10  14 1
            14   11  15 2
            15   13  16 2
            16   15  17 1
            17   16  18 1
            18    7   9 2
            19    8  10 1
            20   15  16 1

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