Basic information
- CAS
4988-30-1- Standard SMILES
CC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Na+].[Na+]- InChIKey
DIGXDNVEYLOEOT-UHFFFAOYSA-L- Molecular formula
- C21H15ClN8Na2O7S2
- Average molar mass
- 637 g/mol
- Monoisotopic mass
- 635.9989035
Names & identifiers
- Preferred name
- Disodium 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonate
- IUPAC
- disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate
- English name
- disodium 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,5-disulphonate
- Molecular formula
- C21H18ClN8NaO7S2
- Molecular weight
- 616.98
Names & synonyms
1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)-, disodium salt1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:2)Disodium 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,5-disulphonate1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-, disodium saltDisodium 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonate1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-, sodium salt (1:2)RefChem:589327225-646-24988-30-1C.I. Reactive Yellow 3, disodium saltEINECS 225-646-2DTXSID4063668
Show more names
CIBACRONYELLOWRReactive yellow 3 disodium salt
Properties
Computed structural properties
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,090
Physicochemical properties
- EPA Substance Registry System
- 3 · C.I. Reactive Yellow 3, disodium salt (4988-30-1)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- 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 50% (1 of 2) of reports.
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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]-, disodium salt
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]-, disodium salt: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (50%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- Precautionary statements
- P273-P501
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]-, sodium salt (1:2): INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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