Basic information
- CAS
71873-47-7- Standard SMILES
COc1ccc(C(=O)[O-])cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(NC(=O)Nc3cc(C)c(N=Nc4cc(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])cc(O)c45)cc3OC)ccc2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
AGVQRJZBHGGNJE-UHFFFAOYSA-J- Molecular formula
- C37H26N6Na4O16S3
- Average molar mass
- 998.8 g/mol
- Monoisotopic mass
- 998.0158194
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate
- English name
- tetrasodium 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]-p-anisate
- Molecular formula
- C37H26N6Na4O16S3
- Molecular weight
- 998.78702
Names & synonyms
71873-47-7DTXSID80890168EINECS 276-124-6Benzoic acid, 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-4-methoxy-, tetrasodium saltBenzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)Benzoic acid, 3-[2-[1-hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxy-, sodium salt (1:4)Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium saltRefChem:118386DTXCID301079093Tetrasodium 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulphonato-1-naphthyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)-p-anisate
Properties
Computed structural properties
- Topological polar surface area
- 386 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 8
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,950
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt (71873-47-7)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3-[2-[1-hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxy-, sodium salt (1:4): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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