Basic information
- CAS
6539-67-9- Standard SMILES
CC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
ASDREVVGQFYRTH-UHFFFAOYSA-N- Molecular formula
- C21H17ClN8O7S2
- Average molar mass
- 593 g/mol
- Monoisotopic mass
- 592.035015
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-
- IUPAC
- 3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
- English name
- Reactive Yellow 3
- Molecular formula
- C21H17ClN8O7S2
- Molecular weight
- 592.99
Names & synonyms
DTXSID10644071,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)-1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,5-disulphonic acid3-((2-(Acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonic acid1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-RefChem:417431DTXCID0044602229-453-4Reactive Yellow 36539-67-9
Show more names
C.I.13245Ostazin Yellow H-AProcion Yellow HASActive yellow K-RNTriacion Yellow H-AChemictive Yellow RHCibacron Yellow FR-A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Density
- 1.81 · 1.81
- pka
- -0.71 · -0.71±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]- (6539-67-9)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-: INACTIVE
Applications
UsesReactive Yellow 3 is a pigment used in the colourization of plastics. Reactive Yellow 3 degrades under UV light.
Preparation methods
Preparation3-Aminonaphthalene-1,5-disulfonic acid diazo, and N-(3-aminophenyl)acetamide hydrochloride coupling, and then and 2,4,6-Trichloro-1,3,5-triazine condensation, and four.
Upstream & downstream products
Upstream raw materials
Suppliers30 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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