Basic information
- CAS
6486-92-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)c(Oc3ccc(S(=O)(=O)O)cc3)c(O)c21- InChIKey
YCNHRWJJRCWZQZ-UHFFFAOYSA-N- Molecular formula
- C20H12O11S2
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 491.98210354
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-
- IUPAC
- 1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid
- English name
- 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulphophenoxy)anthracene-2-sulphonic acid
- Molecular formula
- C20H12O11S2
- Molecular weight
- 492.43
Names & synonyms
6486-92-62-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-EINECS 229-360-9DTXSID5064386RefChem:465368DTXCID30443881,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-9,10-dihydroanthracene-2-sulfonic acid9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulphophenoxy)anthracene-2-sulphonic acidFJ82C6N6ATSCHEMBL21436511YCNHRWJJRCWZQZ-UHFFFAOYSA-N
Show more names
C.I.58225Pigment Violet 20Morton Fast Rubine FFC.I.Pigment Violet 201,4-Dihydroxy-9,10-dihydro-9,10-dioxo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid
NS000213179,10-Dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-2-anthracenesulfonic acid
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 988
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)- (6486-92-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…