Basic information
- CAS
72927-92-5- Standard SMILES
Cc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(N5CCOCC5)n4)c3c2O)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+]- InChIKey
KXXIXSOUNZEYLW-UHFFFAOYSA-K- Molecular formula
- C24H19ClN7Na3O11S3
- Average molar mass
- 782.1 g/mol
- Monoisotopic mass
- 780.9686285
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;5-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
- English name
- trisodium 5-[[4-chloro-6-(morpholino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
- Molecular formula
- C24H19ClN7Na3O11S3
- Molecular weight
- 782.06527
Names & synonyms
72927-92-5EINECS 277-033-4DTXSID308902592,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulfophenyl)azo)-, trisodium salt1-Hydroxy-2-((4-methyl-2-sulfophenyl)azo)-8-((4-chloro-6-morpholine-1,3,5-triazin-2-yl)amino)naphthalene-3,6-disulfonic acid, sodium salt2,7-Naphthalenedisulfonic acid, 4-((4-chloro-6-(4-morpholinyl)-s-triazin-2-yl)amino)-5-hydroxy-6-((4-methyl-2-sulfophenyl)azo)-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:3)RefChem:83524DTXCID201079195
Properties
Computed structural properties
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 5
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,380
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, trisodium salt (72927-92-5)
- 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: 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, trisodium salt
Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, trisodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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