[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3)
Basic information
- CAS
71720-94-0- Standard SMILES
Cc1cc(-c2cc(C)c(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1N=Nc1ccc(NC(=O)CCl)cc1.[Na+].[Na+].[Na+]- InChIKey
YNJRXWQXVAMJNY-UHFFFAOYSA-K- Molecular formula
- C32H23ClN5Na3O11S3
- Average molar mass
- 854.2 g/mol
- Monoisotopic mass
- 852.9937806
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3)
- IUPAC
- trisodium;3-[[4-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-5-methyl-2-sulfonatophenyl]-2-methyl-5-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonate
- English name
- trisodium 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate
- Molecular formula
- C32H23ClN5Na3O11S3
- Molecular weight
- 854.16923
Names & synonyms
DTXSID90890159(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-((4-((chloroacetyl)amino)phenyl)azo)-4'-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-5,5'-dimethyl-, trisodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(4-((2-chloroacetyl)amino)phenyl)diazenyl)-4'-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-, sodium salt (1:3)[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3)RefChem:550929DTXCID20107907671720-94-0EINECS 275-920-0SLBAXZNNDDJFHM-LVMHUEJWSA-KNS00063394Trisodium 4-((4-((chloroacetyl)amino)phenyl)azo)-4'-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
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Properties
Computed structural properties
- Topological polar surface area
- 296 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,600
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt (71720-94-0)
- 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.
Hazard information
Regulatory InformationChemical: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-, trisodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-, sodium salt (1:3): INACTIVE
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Compound notes
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