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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:18 UTC
Update Date2022-03-07 02:53:29 UTC
HMDB IDHMDB0032856
Secondary Accession Numbers
  • HMDB32856
Metabolite Identification
Common Name3,3',4,4'-Tetrachloroazobenzene
Description3,3',4,4'-Tetrachloroazobenzene belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. Based on a literature review very few articles have been published on 3,3',4,4'-Tetrachloroazobenzene.
Structure
Thumb
Synonyms
ValueSource
3,3',4,4'-tetrachloro-AzobenzeneHMDB
3,4,3',4'-TetrachloroazobenzeneHMDB
3,4,3',4'-Tetrachloroazobenzene, (Z)-isomerHMDB
Bis(3,4-dichlorophenyl)-(Z)-diazeneHMDB
Bis(3,4-dichlorophenyl)-diazeneHMDB
Bis(3,4-dichlorophenyl)diazeneHMDB
Bis(3,4-dichlorophenyl)diazene, 9ciHMDB
Diazene, bis(3,4-dichlorophenyl)- (9ci)HMDB
TCABHMDB
Chemical FormulaC12H6Cl4N2
Average Molecular Weight320.001
Monoisotopic Molecular Weight317.92850903
IUPAC Name(E)-bis(3,4-dichlorophenyl)diazene
Traditional Name(E)-bis(3,4-dichlorophenyl)diazene
CAS Registry Number14047-09-7
SMILES
ClC1=C(Cl)C=C(C=C1)\N=N\C1=CC(Cl)=C(Cl)C=C1
InChI Identifier
InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+
InChI KeySOBGIMQKWDUEPY-ISLYRVAYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzobenzenes
Sub ClassNot Available
Direct ParentAzobenzenes
Alternative Parents
Substituents
  • Azobenzene
  • 1,2-dichlorobenzene
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Azo compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organochloride
  • Organohalogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010833
KNApSAcK IDNot Available
Chemspider ID24617
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .