Basic information
- CAS
75199-01-8- Standard SMILES
Cc1cc(Nc2nc(F)nc(Nc3ccccc3S(=O)(=O)[O-])n2)ccc1N=Nc1ccc(N=Nc2cc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c2cc(S(=O)(=O)[O-])ccc12.[K+].[Na+]- InChIKey
SUVLUXNLIXNSSJ-VOBFKEBHSA-D- Molecular formula
- C36H21FKN9NaO15S5-3
- Average molar mass
- 1,061 g/mol
- Monoisotopic mass
- 1,059.9279458
Names & identifiers
- Preferred name
- 1,3,5-Naphthalenetrisulfonic acid, 7-((4-((4-((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methylphenyl)azo)-7-sulfo-1-naphthalenyl)azo)-, potassium sodium salt
- IUPAC
- potassium;sodium;7-[[4-[[4-[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonate
- English name
- 7-[[4-[[4-[[4-fluoro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo]-7-sulpho-1-naphthyl]azo]naphthalene-1,3,5-trisulphonic acid, potassium sodium salt
- Molecular formula
- C72H42F2K5N18Na5O30S10
- Molecular weight
- 2308.2936364
Names & synonyms
EINECS 278-110-575199-01-81,3,5-Naphthalenetrisulfonic acid, 7-((4-((4-((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methylphenyl)azo)-7-sulfo-1-naphthalenyl)azo)-, potassium sodium salt1,3,5-Naphthalenetrisulfonic acid, 7-(2-(4-(2-(4-((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methylphenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-, potassium sodium salt (1:?:?)7-((4-((4-((6-((2-Sulfophenyl)amino)-4-fluoro-1,3,5-triazin-2-yl)amino)-2-methylphenyl)azo)-7-sulfonaphthalen-1-yl)azo)-1,3,5-naphthalenetrisulfonic acid, sodium, potassium saltNS001247537-((4-((4-((4-Fluoro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)amino)-2-methylphenyl)azo)-7-sulpho-1-naphthyl)azo)naphthalene-1,3,5-trisulphonic acid, potassium sodium salt7-[[4-[[4-[[4-fluoro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo]-7-sulpho-1-naphthyl]azo]naphthalene-1,3,5-trisulphonic acid, potassium sodium salt
Properties
Computed structural properties
- Topological polar surface area
- 440 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 8
- Heavy atoms
- 68
- Formal charge
- -3
- Complexity
- 2,280
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, potassium sodium salt (75199-01-8)
- 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: 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, potassium sodium salt
Other Safety InformationIMAP assessments - 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[4-[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, potassium sodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[2-[4-[[4-fluoro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, potassium sodium salt (1:?:?): INACTIVE
Related reactions
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Compound notes
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