Basic information
- CAS
6492-73-5- Standard SMILES
O=C1C(c2[nH]c3ccc(Br)cc3c2O)=Nc2ccccc21- InChIKey
FJLJDIMWPQJEQK-UHFFFAOYSA-N- Molecular formula
- C16H9BrN2O2
- Average molar mass
- 341.16 g/mol
- Monoisotopic mass
- 339.98474
Names & identifiers
- Preferred name
- 3H-Indol-3-one, 5-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
- IUPAC
- 2-(5-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
- English name
- 3H-Indol-3-one,5-dromo-2-1,3-dihydro-3-oxo-2H-indol-2-ylidene-1,2-dihydro
- Molecular formula
- C16H9BrN2O2
- Molecular weight
- 341.16
Names & synonyms
Bromindigo R6492-73-53H-Indol-3-one, 5-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-2-(5-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one5-BromindigoFJLJDIMWPQJEQK-YPKPFQOOSA-NHICSZRHAFWZDGQ-UHFFFAOYSA-NDTXSID2010317233H-indol-3-one,5-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-C.I.73055Vat Blue 3Vat Blue 34
Show more names
C.I.Vat Blue 3C.I.Vat Blue 34Yamada Brom Indigo RC.I.Vat Blue 3:C.I.73055C.I.Vat Blue 34:C.I.73055MDW,C.I. Vat Blue 3,Indigo RN(E)-5-bromo-[2,2,-biindolinylidene]-3,3,-dione
Database identifiers
- CAS
6492-73-5- PubChem CID
- 22993
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 447.4 · 447.4±45.0 °C(Predicted)
- Density
- 1.695 · 1.695±0.06 g/cm3(Predicted)
- pka
- -4.15 · -4.15±0.20(Predicted)
Chemistry & industry
Preparation methods
PreparationIndigo in a sulphuric 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (FIAT 764 and 1313); (b) 3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- or 3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- white (C.I. 73001) and bromine in the presence of water response; (C) 3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- and bromine in the presence of Pyridine or starch reaction, or in aqueous hydrogen bromide, hydrogen chloride or the presence of sulfuric acid reaction; (d) 5-Bromo-3-indolinoneand 3H-indol-3-onecondensation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
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Compound notes
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