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2-Naphthalenesulfonic acid, 5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:2)

HCID 166391
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
72986-60-8
Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccc(N=Nc3ccc(N=Nc4ccc(OS(=O)(=O)c5ccccc5)cc4)c4cc(S(=O)(=O)[O-])ccc34)cc2)c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIKey
AIFUCUFOMJAMEJ-UHFFFAOYSA-L
Molecular formula
C34H22N6Na2O11S3
Average molar mass
832.8 g/mol
Monoisotopic mass
832.03040762

Names & identifiers

Preferred name
2-Naphthalenesulfonic acid, 5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:2)
IUPAC
disodium;8-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
English name
disodium 5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate
Molecular formula
C34H22N6Na2O11S3
Molecular weight
832.74662

Names & synonyms

72986-60-8EINECS 277-176-2DTXSID708903192-Naphthalenesulfonic acid, 5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-8-((4-((phenylsulfonyl)oxy)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-8-(2-(4-((phenylsulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:2)Naphthalene-2-sulfonic acid, 5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-8-((4-((phenylsulfonyl)oxy)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulfonyl)oxy]phenyl]azo]-, disodium salt2-Naphthalenesulfonic acid, 5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:2)RefChem:88512DTXCID801079250AIFUCUFOMJAMEJ-UHFFFAOYSA-LNS00059094
Show more names
disodium 5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate

Properties

Computed structural properties

Topological polar surface area
290 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
16
Rotatable bonds
9
Heavy atoms
56
Formal charge
0
Complexity
1,630

Physicochemical properties

EPA Substance Registry System
2 · 2-Naphthalenesulfonic acid, 5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulfonyl)oxy]phenyl]azo]-, disodium salt (72986-60-8)
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: 2-Naphthalenesulfonic acid, 5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulfonyl)oxy]phenyl]azo]-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:2): INACTIVE

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
2-Naphthalenesulfonic acid, 5-[[4-[(4-nitro-2-sulfophenyl) amino]phenyl]azo]-8-[[4-[(phenylsulfonyl)oxy ]phenyl]azo]-, disodium salt
5-[[4-[[4-Nitro-2-(sodiooxysulfonyl)phenyl]amino]phenyl]azo]-8-[[4-[(phenylsulfonyl)oxy]phenyl]azo]-2-naphthalenesulfonic acid sodium salt
Disodium 5-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)-8-((4-((phenylsulphonyl)oxy)phenyl)azo)naphthalene-2-sulphonateDisodium 8-({4-[(benzenesulfonyl)oxy]phenyl}diazenyl)-5-{[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl}naphthalene-2-sulfonate

Database identifiers

CAS
72986-60-8
PubChem CID
166391
DTXSID
DTXSID70890319
EC Number
277-176-2
Nikkaji
J296.446E