Basic information
- CAS
72968-81-1- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(N=Nc4ccc(Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)[O-])cc4)c4ccc(S(=O)(=O)[O-])cc34)cc2)cc1.[Na+].[Na+]- InChIKey
BXMJSZZPKAWJHR-UHFFFAOYSA-L- Molecular formula
- C35H24N6Na2O11S3
- Average molar mass
- 846.8 g/mol
- Monoisotopic mass
- 846.04605769
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 8-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
- IUPAC
- disodium;8-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
- English name
- disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate
- Molecular formula
- C35H24N6Na2O11S3
- Molecular weight
- 846.7732
Names & synonyms
72968-81-1EINECS 277-155-8DTXSID108903182-Naphthalenesulfonic acid, 8-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-, sodium salt (1:2)Naphthalene-2-sulfonic acid, 8-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 8-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:2)RefChem:88609DTXCID5010792492-Naphthalenesulfonic acid, 8-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 8-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, disodium saltBXMJSZZPKAWJHR-UHFFFAOYSA-LDisodium 8-((4-(((4-methylphenyl)sulphonyl)oxy)phenyl)azo)-5-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)naphthalene-1-sulphonate
Properties
Computed structural properties
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,660
Physicochemical properties
- Density
- 1.591 · 1.591[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 22.74 g/L · 22.74g/L at 20℃
- LogP
- 0.3 at · 0.3 at 25℃
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 8-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, disodium salt (72968-81-1)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 8-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, disodium salt
REACH registered substance: Disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate (EC: 277-155-8)
2-Naphthalenesulfonic acid, 8-4-(4-methylphenyl)sulfonyloxyphenylazo-5-4-(4-nitro-2-sulfophenyl)aminophenylazo-, disodium 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.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 8-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:2): INACTIVE
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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