CHEBI:48113 - 1,3,5-trinitrobenzene

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ChEBI Name 1,3,5-trinitrobenzene
ChEBI ID CHEBI:48113
Definition A trinitrobenzene in which each of the nitro groups is meta- to the other two.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H3N3O6
Net Charge 0
Average Mass 213.10450
Monoisotopic Mass 213.002
InChI InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
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ChEBI Ontology
Outgoing 1,3,5-trinitrobenzene (CHEBI:48113) has role explosive (CHEBI:63490)
1,3,5-trinitrobenzene (CHEBI:48113) is a trinitrobenzene (CHEBI:48110)
Incoming 2,4,6-trinitrotoluene (CHEBI:46053) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
2,4,6-trinitroxylene (CHEBI:77316) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
musk xylene (CHEBI:77320) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
picric acid (CHEBI:46149) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
IUPAC Name
1,3,5-trinitrobenzene
Synonyms Sources
1,3,5-Trinitrobenzol ChEBI
s-trinitrobenzene NIST Chemistry WebBook
sym-trinitrobenzene ChemIDplus
TNB ChemIDplus
Manual Xref Database
1,3,5-Trinitrobenzene Wikipedia
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Registry Numbers Types Sources
1252144 Beilstein Registry Number Beilstein
1252144 Reaxys Registry Number Reaxys
27979 Gmelin Registry Number Gmelin
99-35-4 CAS Registry Number NIST Chemistry WebBook
99-35-4 CAS Registry Number ChemIDplus
Last Modified
13 February 2014