1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
Basic information
- CAS
14835-74-6- Standard SMILES
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1cccc(S(=O)(=O)[O-])c1C2=O.[Na+].[Na+].[Na+]- InChIKey
CBRIVCUYFVJQKE-UHFFFAOYSA-K- Molecular formula
- C23H11Cl2N6Na3O11S3
- Average molar mass
- 783.4 g/mol
- Monoisotopic mass
- 781.8718069
Names & identifiers
- Preferred name
- 1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
- IUPAC
- trisodium;5-amino-8-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-1,6-disulfonate
- English name
- trisodium 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate
- Molecular formula
- C23H11Cl2N6Na3O11S3
- Molecular weight
- 783.43735
Names & synonyms
DTXSID408896391,6-Anthracenedisulfonic acid, 5-amino-8-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)RefChem:417528DTXCID30103110214835-74-61,6-Anthracenedisulfonic acid, 5-amino-8-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium saltEINECS 238-899-9CBRIVCUYFVJQKE-UHFFFAOYSA-Ktrisodium 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihytrisodium;5-amino-8-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-1,6-disulfonate
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Properties
Computed structural properties
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,440
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt (14835-74-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6-Anthracenedisulfonic acid, 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3): INACTIVE
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Compound notes
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