Basic information
- CAS
3875-72-7- Standard SMILES
Cc1cc(Cl)cc2sc(-c3sc4cc(Cl)cc(C)c4c3OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c12.[Na+].[Na+]- InChIKey
QXZGOSYDLJGDML-UHFFFAOYSA-L- Molecular formula
- C18H10Cl2Na2O8S4
- Average molar mass
- 599.4 g/mol
- Monoisotopic mass
- 597.8430959
Names & identifiers
- Preferred name
- [2,2'-bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt
- IUPAC
- disodium;[6-chloro-2-(6-chloro-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate
- English name
- Vat Red 1, Solubilized
- Molecular formula
- C18H13Cl2NaO8S4
- Molecular weight
- 579.42
Names & synonyms
[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium saltDTXSID7063217(2,2'-Bibenzo(b)thiophene)-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt(2,2'-Bibenzo(b)thiophene)-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, 3,3'-bis(hydrogen sulfate), sodium salt (1:2)[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, 3,3'-bis(hydrogen sulfate), sodium salt (1:2)RefChem:550957DTXCID10395533875-72-7Indigosol Brilliant Pink IRTinosol Pink RSSandozol Pink RTinosol Pink R
Show more names
SolubilizedVat Pink S-3BHelasol Pink RTriasol Pink IR.
Soledon Pink FFSoledon Pink IRSolvat Pink RKambosol Pink IRAnthrasol Pink IRFenanthra Pink IRIndigosol Pink IRSolindolo Pink FR
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- EPA Substance Registry System
- 2 · [2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt (3875-72-7)
- 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.
Hazard information
Regulatory InformationChemical: [2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, 3,3'-bis(hydrogen sulfate), sodium salt (1:2): INACTIVE
Preparation methods
Preparation(a) in the presence of Pyridine , with Chlorosulfonic acid treatment C.I. Vat Red 1 leuco : (b) used in Pyridine metal (such as copper, iron, zinc, etc) and Sulfur trioxide source (such as Sulfur trioxide, Chlorosulfonic acid or Methyl chlorosulfonate) processing C.I. Vat Red 1. The above two kinds of circumstances are through with alkali, filter out the insoluble,remove Pyridine and salting-out.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
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Compound notes
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