1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3)
Basic information
- CAS
20025-74-5- Standard SMILES
O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(N=Nc3ccc(N=Nc4ccc(Nc5nc(Cl)nc(Cl)c5Cl)cc4)cc3)cc(S(=O)(=O)[O-])c2c1.[Na+].[Na+].[Na+]- InChIKey
FRBAGNOAEDOWSE-UHFFFAOYSA-K- Molecular formula
- C26H13Cl3N7Na3O9S3
- Average molar mass
- 838.9 g/mol
- Monoisotopic mass
- 836.869554
Names & identifiers
- Preferred name
- 1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;7-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate
- English name
- trisodium 3-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]phenyl]azo]naphthalene-1,5,7-trisulphonate
- Molecular formula
- C26H13Cl3N7Na3O9S3
- Molecular weight
- 838.94623
Names & synonyms
20025-74-5EINECS 243-469-9DTXSID008896751,3,5-Naphthalenetrisulfonic acid, 7-((4-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)azo)-, trisodium salt1,3,5-Naphthalenetrisulfonic acid, 7-(2-(4-(2-(4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:3)1,5,7-Naphthalenetrisulfonic acid, 3-((4-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)azo)-, trisodium salt1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]phenyl]azo]-, trisodium salt1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3)RefChem:72284DTXCID501028927Trisodium 3-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]phenyl]azo]naphthalene-1,5,7-trisulphonateTrisodium 3-((4-((4-((2,5,6-trichloropyrimidin-4-yl)amino)phenyl)azo)phenyl)azo)naphthalene-1,5,7-trisulphonate
Show more names
Properties
Computed structural properties
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,450
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]phenyl]azo]-, trisodium salt (20025-74-5)
- 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.
Hazard information
Regulatory InformationChemical: 1,5,7-Naphthalenetrisulfonic acid, 3-[[p-[[p-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]phenyl]azo]-, trisodium salt
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3): ACTIVE
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Compound notes
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