Basic information
- CAS
72829-27-7- Standard SMILES
CC(=O)Nc1cc(Nc2nc(Cl)nc(NCCS(=O)(=O)[O-])n2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Na+].[Na+].[Na+]- InChIKey
OHIIVMIIWKYIIL-UHFFFAOYSA-K- Molecular formula
- C23H18ClN8Na3O10S3
- Average molar mass
- 767.1 g/mol
- Monoisotopic mass
- 765.9689629
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-chloro-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)
- IUPAC
- trisodium;3-[[2-acetamido-4-[[4-chloro-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate
- English name
- trisodium 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulphonatoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,5-disulphonate
- Molecular formula
- C23H18ClN8Na3O10S3
- Molecular weight
- 767.05393
Names & synonyms
72829-27-7EINECS 276-914-0DTXSID508902961,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-chloro-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-chloro-6-((2-sulfoethyl)amino)-s-triazin-2-yl)amino)phenyl)azo)-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-chloro-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3)1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)RefChem:73530DTXCID301079231NS00061090Trisodium 3-((2-(acetylamino)-4-((4-chloro-6-((2-sulphonatoethyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 313 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,350
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt (72829-27-7)
- 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.
Hazard information
Regulatory InformationChemical: 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-[[4-chloro-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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