Basic information
- CAS
128-86-9- Standard SMILES
Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O- InChIKey
MVWQCFNJWMLYDF-UHFFFAOYSA-N- Molecular formula
- C14H10N2O10S2
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.97768687
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid
- IUPAC
- 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
- English name
- Solvent Blue 74
- Molecular formula
- C14H10N2O10S2
- Molecular weight
- 430.37
Names & synonyms
128-86-9Alizarin brilliant blue BS4,8-Diamino-1,5-dihydroxy-9,10-dihydro-9,10-dioxo-2,6-anthracenedisulfonic acid, disodium saltRefChem:4451714,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid204-913-72,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acidNSC476994,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acidEINECS 204-913-74,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid
Show more names
C.I.63005Solvent Blue 74C.I.Solvent Blue 74ACIDFORMOFACIDBLUE45C.I.Solvent Blue 74:C.I.63005Solvent Blue 74 ISO 9001：2015 REACH4,8-Diaminoanthrarufin-2,6-disulfonic acid4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-6-anthracenedisulfonic acid1,5-Diamino-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-3,7-anthracenedisulfonic acid
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 818
Physicochemical properties
- Density
- 2.088 · 2.088±0.06 g/cm3(Predicted)
- pka
- -1.67 · -1.67±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo- (128-86-9)
- 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 Information2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-: ACTIVE
Preparation methods
PreparationC.I. Acid Blue 45 (by (a) 1,5-Dihydroxyanthracene-9,10-dione sulfonation, again nitrifying generated disulfonic Acid, then use Sodium sulfide reduction; (b) using Sodium bisulfite treatment 2,4,6,8-Tetrabromo-1,5-dihydroxyanthracene-9,10-dione or 1,5-Dihydroxy-2,6-dichloro-4,8-dinitroanthraquinone; (C) in the presence of copper with ammonia treatment 2,4,6,8-Tetrabromo-1,5-dihydroxyanthracene-9,10-dioneor1,5-Dihydroxy-2,6-dichloro-4,8-dinitroanthraquinonewith hydrochloric Acid acidification.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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