Basic information
- CAS
6247-34-3- Standard SMILES
CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
CKDSSRXGNPFPPZ-UHFFFAOYSA-N- Molecular formula
- C22H17N3O6S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.08380644
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-
- IUPAC
- 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C22H17N3O6S
- Molecular weight
- 451.45188
Names & synonyms
EINECS 228-364-82-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-DTXSID70641582-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-4-((4-(Acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidRefChem:465358DTXCID4043353228-364-86247-34-3CHEMBL1206417NSC366218
Show more names
ACIDFORMOFACIDBLUE40CKDSSRXGNPFPPZ-UHFFFAOYSA-N
Egacid Blue A 2GAhcoquinone Blue A 2GAnthraquinone Blue 2GANAcid Alizarine Blue A 2GAlizarine Direct Blue A 2GCalcocid Alizarine Blue A 2Gorb2566746SCHEMBL9173299
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 863
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo- (6247-34-3)
- 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
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-: ACTIVE
Applications
UsesC.I. Acid blue 40 is a multifunctional dye. Dyes are important tools in biological experiments. They can help researchers observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology and monitor microorganisms. Their applications range from basic scientific research to clinical A wide range of diagnostics. Dyes are also widely used in traditional fields such as textile dyeing, as well as in emerging fields such as functional textile processing, food pigments and dye-sensitized solar cells.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
2 records
Compound notes
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