Basic information
- CAS
70865-27-9- Standard SMILES
COc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3ccc(N(C)c4nc(Cl)nc(Cl)n4)cc3c2O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
QDTRFBUDYHJCDV-UHFFFAOYSA-L- Molecular formula
- C21H14Cl2N6Na2O8S2
- Average molar mass
- 659.4 g/mol
- Monoisotopic mass
- 657.9486977
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)
- IUPAC
- disodium;6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
- English name
- disodium 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
- Molecular formula
- C21H14Cl2N6Na2O8S2
- Molecular weight
- 659.3868
Names & synonyms
70865-27-9EINECS 274-954-3DTXSID208901022-Naphthalenesulfonic acid, 6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2)6-((4,6-Dichloro-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium saltRefChem:88538DTXCID201079026Disodium 6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonateNS00091642
Show more names
Properties
Computed structural properties
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt (70865-27-9)
- 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.
Hazard information
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, disodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:2): INACTIVE
Related reactions
0 records
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Compound notes
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