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1-chloro-2,4,6-trinitrobenzene

Go to external page http://purl.obolibrary.org/obo/CHEBI_53053

The C-nitro compound that is chlorobenzene with three nitro substituents in the 2-, 4- and 6-positions.

Term info

Label

1-chloro-2,4,6-trinitrobenzene

Synonyms
  • 1-Chloro-2,4,6-trinitrobenzene
  • 2-chloro-1,3,5-trinitrobenzene
database cross reference
Subsets

3_STAR

IUPAC NAME
2-chloro-1,3,5-trinitrobenzene [ IUPAC ]

charge

0

formula

C6H2ClN3O6

has obo namespace

chebi_ontology

has related synonym

2,4,6-Trinitro-1-chlorobenzene, 2-Chloro-1,3,5-trinitrobenzene, 2,4,6-Trinitrochlorobenzene, Trinitrochlorobenzene, Picryl chloride, Tncb, TNCB

id

CHEBI:53053

inchi

InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H

inchikey

HJRJRUMKQCMYDL-UHFFFAOYSA-N

mass

247.55000

monoisotopicmass

246.96321

smiles

[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O