Basic information
- CAS
15141-18-1- Standard SMILES
CCN(CCOC(C)=O)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1- InChIKey
HMAJVAFLGGPIPN-UHFFFAOYSA-N- Molecular formula
- C16H19N5O4S
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.11577509
Overview
Disperse Blue 124 is a 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. It has a role as a dye, an allergen and a hapten. It is a tertiary amine, a member of 1,3-thiazoles and a monoazo compound.
Names & identifiers
- Preferred name
- Disperse Blue 124
- IUPAC
- 2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl acetate
- English name
- 2-[N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-m-toluidino]ethyl acetate
- Molecular formula
- C16H19N5O4S
- Molecular weight
- 377.42
Names & synonyms
Disperse blue 12461951-51-7CHEBI:59605RefChem:135104239-203-615141-18-1C.I. Disperse Blue 1242-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl acetate2-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl acetateSerisol 2RDEINECS 239-203-6C16H19N5O4S
Show more names
Serisol 3RDHiseperse Blue C-3RC.I.Disperse Blue 124Disperse Yellow Impurity 4Disperse Turquoise Blue FFLHMAJVAFLGGPIPN-VHEBQXMUSA-NDisperse Blue 124 100 μg/mL in Acetonitrile2-[N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-m-toluidino]ethyl acetate
Epitope ID:131801SCHEMBL25292441SCHEMBL30341070DTXSID40864562MSK5838HMAJVAFLGGPIPN-UHFFFAOYSA-NMFCD08056250AKOS015902614
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Experimental & physicochemical properties
Chemical ClassesDyes -> Azo Dyes
Physicochemical properties
- Boiling point
- 545.7 · 545.7±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 2.57 · 2.57±0.50(Predicted)
- CAS DataBase Reference
- 15141 · 15141-18-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: Ethanol, 2-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-, 1-acetate
Hazards SummaryAllergic contact dermatitis reported in textile workers; [Kanerva, p. 1149] Danger of skin sensitization; [MAK]
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute Tox. 3 (100%)
Skin Sens. 1A
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Uses
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
Substance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.
Applications
DescriptionDisperse blue 124 is a textile dye responsible for occupational contact dermatitis in the textile industry. A positive patch-test reaction was observed in a painter sensitized to phtalocyanine dyes, with no occupational relevance.
UsesDisperse Blue 124 is a disperse textile dye that causes allergic contact dermatitis. It is categorized as an extreme sensitizer and strong irritant. Dyes and metabolites, Environmental Testing
Upstream & downstream products
Upstream raw materials
Suppliers20 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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