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CHEBI:59605 - Disperse Blue 124

Default Structure
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:
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.
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.
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
2-(N-ethyl-4-((5-nitrothiazol-2-yl)azo)-m-toluidino)ethyl acetateChEBI
C.I. Disperse Blue 124ChEBI
Registry NumbersSources
CAS:15141-18-1ChemIDplus
CAS:61951-51-7ChemIDplus
Citations