Basic information
- CAS
72987-21-4- Standard SMILES
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)c(C)cc1NC(=O)Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
BRZMATKZKCMEPJ-RQEOPCHLSA-I- Molecular formula
- C41H27N8Na5O19S5
- Average molar mass
- 1,211 g/mol
- Monoisotopic mass
- 1,209.9484479
Names & identifiers
- Preferred name
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((((5-hydroxy-7-sulfo-6-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-, pentasodium salt
- IUPAC
- pentasodium;4-hydroxy-5-[[4-[[5-hydroxy-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate
- English name
- pentasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulphonato-6-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate
- Molecular formula
- C41H27N8Na5O19S5
- Molecular weight
- 1210.96913
Names & synonyms
DTXSID40904876EINECS 277-180-42,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((((5-hydroxy-7-sulfo-6-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-, pentasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((((5-hydroxy-7-sulfo-6-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:5)4-Hydroxy-5-((4-((((3-((4-((4-sulfophenyl)azo)-2-sulfophenyl)azo)-4-hydroxy-2-sulfo-7-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-2,7-naphthalenedisulfonic acid, pentasodium saltPentasodium 4-hydroxy-5-((4-((((5-hydroxy-7-sulphonato-6-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)naphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt
Properties
Computed structural properties
- Topological polar surface area
- 493 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 9
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,550
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt (72987-21-4)
- 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% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-5-hydroxy-7-sulfo-6-2-sulfo-4-(4-sulfophenyl)azophenylazo-2-naphthalenylaminocarbonylamino-5-methoxy-2-methylphenylazo-, pentasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[[[5-hydroxy-7-sulfo-6-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:5): ACTIVE
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
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Compound notes
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