EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59605 - Disperse Blue 124

ChEBI IDCHEBI:59605
ChEBI NameDisperse Blue 124
Stars
DefinitionA monoazo compound consisting of diazene with a 5-nitrothiazol-2-yl group attached to one nitrogen and a substituted 4-aminophenyl group attached to the other; used as a dye standard for the assay of allergy-releasing dyes in textiles.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC16H19N5O4S
Net Charge0
Average Mass377.426
Monoisotopic Mass377.11578
SMILESCCN(CCOC(C)=O)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1
InChIInChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyHMAJVAFLGGPIPN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
Disperse Blue 124 (CHEBI:59605) has role allergen (CHEBI:50904)
Disperse Blue 124 (CHEBI:59605) has role dye (CHEBI:37958)
Disperse Blue 124 (CHEBI:59605) has role hapten (CHEBI:59174)
Disperse Blue 124 (CHEBI:59605) is a 1,3-thiazoles (CHEBI:38418)
Disperse Blue 124 (CHEBI:59605) is a monoazo compound (CHEBI:48959)
Disperse Blue 124 (CHEBI:59605) is a tertiary amine (CHEBI:32876)
IUPAC Name 
2-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl acetate
Synonyms  Source
C.I. Disperse Blue 124ChEBI
2-(N-ethyl-4-((5-nitrothiazol-2-yl)azo)-m-toluidino)ethyl acetateChEBI
Registry NumbersSources
CAS:15141-18-1ChemIDplus
CAS:61951-51-7ChemIDplus
Citations