Soluble vat Blue 2B
Basic information
- CAS
2702-33-2- Standard SMILES
O=S(=O)([O-])Oc1c(-c2[nH]c3c(Br)cc(Br)cc3c2OS(=O)(=O)[O-])[nH]c2c(Br)cc(Br)cc12.[Na+].[Na+]- InChIKey
ZBGMJIMKBFEAHJ-UHFFFAOYSA-L- Molecular formula
- C16H6Br4N2Na2O8S2
- Average molar mass
- 784 g/mol
- Monoisotopic mass
- 779.60945
Names & identifiers
- Preferred name
- Soluble vat Blue 2B
- IUPAC
- disodium;[5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate
- English name
- disodium 5,5',7,7'-tetrabromo[2,2'-bi-1H-indole]-3,3'-diyl disulphate
- Molecular formula
- C16H9Br4N2NaO8S2
- Molecular weight
- 763.98
Names & synonyms
2702-33-2Soluble vat Blue 2B2E21478XVUINDIGOSOL O 4BUNII-2E21478XVUDTXSID6062597Disodium 5,5',7,7'-tetrabromo(2,2'-bi-1H-indole)-3,3'-diyl disulphateEINECS 220-287-8C.I. SOLUBILIZED VAT BLUE 5[2,2'-Bi-1H-indole]-3,3'-diol, 5,5',7,7'-tetrabromo-, bis(hydrogen sulfate) (ester), disodium saltCI 73066Disodium 5,5',7,7'-tetrabromo[2,2'-bi-1H-indole]-3,3'-diyl disulphate
Show more names
C.I.73066Anthrasol O-4BSolasol Indigo 4BSolubilised Vat Blue 5C.I.Solubilised Vat Blue 5C.I.Solubilised Vat Blue 5 :C.I.730665,5',7,7'-Tetrabromo-2,2'-bi[1H-indole]-3,3'-diol bis(sulfuric acid sodium) saltdisodium [5,7-dibromo-2-(5,7-dibromo-3-sulfato-1H-indol-2-yl)-1H-indol-3-yl] sulfatedisodium [5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate
CI SOLUBILISED VAT BLUE 5, DISODIUM SALT(2,2'-Bi-1H-indole)-3,3'-diol, 5,5',7,7'-tetrabromo-, bis(hydrogen sulfate) (ester), disodium salt(2,2'-BIINDOLE)-3,3'-DIOL, 5,5',7,7'-TETRABROMO-, BIS(HYDROGEN SULFATE) (ESTER), DISODIUM SALTRefChem:203101DTXCID5037606Sodium 5,5',7,7'-tetrabromo-1H,1'H-[2,2'-biindole]-3,3'-diyl bis(sulfate)DISODIUM 5,5',7,7'-TETRABROMO-3'-(SULFONATOOXY)-1H,1'H-[2,2'-BIINDOL]-3-YL SULFATE(2,2'-Bi-1H-indole)-3,3'-diol, 5,5',7,7'-tetrabromo-, 3,3'-bis(hydrogen sulfate), sodium salt (1:2)
Database identifiers
- CAS
2702-33-2- PubChem CID
- 75914
- DTXSID
DTXSID6062597- UNII
- 2E21478XVU
- EC Number
- 220-287-8
- Nikkaji
- J139.449E
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 815
Physicochemical properties
- FDA UNII
- 2 E21478XVU · 2E21478XVU
- EPA Substance Registry System
- 2 · [2,2'-Bi-1H-indole]-3,3'-diol, 5,5',7,7'-tetrabromo-, bis(hydrogen sulfate) (ester), disodium salt (2702-33-2)
- 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 ClassificationNot Classified
Hazard information
Regulatory InformationChemical: [2,2'-Bi-1H-indole]-3,3'-diol, 5,5',7,7'-tetrabromo-, bis(hydrogen sulfate) (ester), disodium salt
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[2,2'-Bi-1H-indole]-3,3'-diol, 5,5',7,7'-tetrabromo-, 3,3'-bis(hydrogen sulfate), sodium salt (1:2): ACTIVE
Preparation methods
Preparation(a) in the presence of Pyridine , with Chlorosulfonic acid treatment C.I. Vat Blue 5 leuco; (b) in the Pyridine with metal (such as copper, iron, zinc, etc) and Sulfur trioxide source (such as Sulfur trioxide, Chlorosulfonic acid or Methyl chlorosulfonate, etc.) processing C.I. Vat Blue 5. The above two kinds of situation after alkaline, filter out insolubles, remove Pyridine and salting out.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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