Basic information
- CAS
67827-65-0- Standard SMILES
Cc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)[O-])c(Nc6nc(Cl)nc(C(C)C)n6)c5)n4)c3c2O)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
FHPCVNIAKQVHJE-UHFFFAOYSA-J- Molecular formula
- C32H23Cl2N11Na4O13S4
- Average molar mass
- 1,060.7 g/mol
- Monoisotopic mass
- 1,058.932747
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-chloro-6-[3-[(4-chloro-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
- English name
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, tetrasodium salt
- Molecular formula
- C32H23Cl2N11Na4O14S4
- Molecular weight
- 1076.7154
Names & synonyms
2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:4)RefChem:44631667827-65-0DTXSID401340598EINECS 267-229-82,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulfophenyl)azo)-, tetrasodium salt5-[[4-Chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:4)
Properties
Computed structural properties
- Topological polar surface area
- 421 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 9
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,980
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, tetrasodium salt (67827-65-0)
- 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 Information2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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