Basic information
- CAS
72828-68-3- Standard SMILES
CC(C)Nc1ccc(Nc2ccc(C(C)(C)C)cc2S(=O)(=O)[O-])c2c1C(=O)c1ccc(S(=O)(=O)[O-])c(O)c1C2=O.[Na+].[Na+]- InChIKey
FSNNTIUWZWTFTK-UHFFFAOYSA-L- Molecular formula
- C27H26N2Na2O9S2
- Average molar mass
- 632.6 g/mol
- Monoisotopic mass
- 632.08751132
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt
- IUPAC
- disodium;8-(4-tert-butyl-2-sulfonatoanilino)-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate
- English name
- 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl) -2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1 -methylethyl)amino]-9,10-dioxo-, sodium salt
- Molecular formula
- C27H28N2O9S2.xNa
- Molecular weight
- 0
Names & synonyms
83027-45-672828-68-32-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium saltEINECS 280-148-2DTXSID0013517572-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt (1:?)8-((4-(1,1-Dimethylethyl)-2-sulfophenyl)amino)-1-hydroxy-5-((1-methylethyl)amino)anthraquinone-2-sulfonic acid, sodium saltDisodium 8-((4-(1,1-dimethylethyl)-2-sulphonatophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxoanthracene-2-sulphonateNS000584802-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (1:2)
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (72828-68-3)
- 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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, disodium salt
2-Anthracenesulfonic acid, 8-4-(1,1-dimethylethyl)-2-sulfophenylamino-9,10-dihydro-1-hydroxy-5-(1-methylethyl)amino-9,10-dioxo-, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt (1:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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