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CHEBI:77316 - 2,4,6-trinitroxylene
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ChEBI Name
2,4,6-trinitroxylene
ChEBI ID
CHEBI:77316
Definition
A
C
-nitro compound that is
m
-xylene bearing three nitro substituents at positions 2, 4 and 6.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H7N3O6
Net Charge
0
Average Mass
241.15770
Monoisotopic Mass
241.03348
InChI
InChI=1S/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3
InChIKey
GGGVOOMKPJYWDF-UHFFFAOYSA-N
SMILES
Cc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role
(s):
explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4,6-trinitroxylene (
CHEBI:77316
)
has functional parent
1,3,5-trinitrobenzene (
CHEBI:48113
)
2,4,6-trinitroxylene (
CHEBI:77316
)
has functional parent
m
-xylene (
CHEBI:28488
)
2,4,6-trinitroxylene (
CHEBI:77316
)
has role
explosive (
CHEBI:63490
)
2,4,6-trinitroxylene (
CHEBI:77316
)
is a
C
-nitro compound (
CHEBI:35716
)
IUPAC Name
2,4-dimethyl-1,3,5-trinitrobenzene
Synonym
Source
2,4,6-Trinitro-m-xylene
ChemIDplus
Registry Numbers
Types
Sources
632-92-8
CAS Registry Number
ChemIDplus
632-92-8
CAS Registry Number
NIST Chemistry WebBook
Last Modified
13 February 2014