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CHEBI:78878 - 4-chloro-7-nitrobenzofurazan

ChEBI IDCHEBI:78878
ChEBI Name4-chloro-7-nitrobenzofurazan
Stars
DefinitionA benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.
Last Modified24 June 2014
DownloadsMolfile
FormulaC6H2ClN3O3
Net Charge0
Average Mass199.553
Monoisotopic Mass198.97847
SMILESO=[N+]([O-])c1ccc(Cl)c2nonc12
InChIInChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKeyIGHBXJSNZCFXNK-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor  An EC 3.6.1.* (hydrolases acting on acid anhydrides in P-containing anhydrides) inhibitor that interferes with the action of adenosinetriphosphatase (EC 3.6.1.3).
EC 1.4.3.4 (monoamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
Applications:
fluorescent probe  A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) has role EC 3.6.1.3 (adenosinetriphosphatase) inhibitor (CHEBI:78928)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) has role fluorescent probe (CHEBI:39442)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) has role fluorochrome (CHEBI:51217)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) is a C-nitro compound (CHEBI:35716)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) is a benzoxadiazole (CHEBI:46829)
4-chloro-7-nitrobenzofurazan (CHEBI:78878) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
4-chloro-7-nitro-2,1,3-benzoxadiazole
Synonyms  Source
4-chloro-7-nitrobenzofurazanChemIDplus
4-chloro-7-nitrobenzo-2-oxa-1,3-diazoleChemIDplus
NBD chlorideChemIDplus
7-chloro-4-nitrobenzo-2-oxa-1,3-diazoleChemIDplus
1-chloro-4-nitrobenzoxadiazoleChemIDplus
4-nitro-7-chlorobenzofurazanChemIDplus
Registry NumbersSources
Reaxys:614212Reaxys
CAS:10199-89-0ChemIDplus
Citations