Basic information
- CAS
82-29-1- Standard SMILES
O=C1c2cc(O)ccc2C(=O)c2c1ccc(O)c2O- InChIKey
QWPVOAUJFKGLQA-UHFFFAOYSA-N- Molecular formula
- C14H8O5
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.03717335
Overview
Flavopurpurin is a trihydroxyanthraquinone.
Names & identifiers
- Preferred name
- 1,2,6-Trihydroxy-9,10-anthracenedione
- IUPAC
- 1,2,6-trihydroxyanthracene-9,10-dione
- English name
- 1,2,6-trihydroxyanthracene-9,10-dione
- Molecular formula
- C14H8O5
- Molecular weight
- 256.21
Names & synonyms
Flavopurpurin1,2,6-trihydroxyanthracene-9,10-dione82-29-1Alizarine YC.I. Mordant Red 4C.I. 582402,7,8-Trihydroxyanthraquinone2,7,8-Tha1GOF8W8XSLAnthraquinone, 1,2,6-trihydroxy-9,10-Anthracenedione, 1,2,6-trihydroxy-CHEBI:37489
Show more names
C.I.58240Mordant Red 4C.I.Mordant Red 4C.I.Mordant Red 4:C.I.58240
1,2,6-TRIHYDROXY-9,10-ANTHRACENEDIONERefChem:906660Alizarine Red YCAP1,2,6-TrihydroxyanthraquinoneNSC 4011411,2,6-trihydroxy-9,10-anthraquinoneNSC-4011419,10-Anthracenedione,1,2,6-trihydroxy-
Database identifiers
- CAS
82-29-1- PubChem CID
- 65739
- DTXSID
DTXSID5052753- ChEBI
CHEBI:37489- UNII
- 1GOF8W8XSL
- Nikkaji
- J8.613D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 330 °C · 330°C
- Boiling point
- 359.45 °C · 359.45°C (rough estimate)
- Density
- 1.3683 · 1.3683 (rough estimate)
- refractive index
- 1.4825 · 1.4825 (estimate)
- pka
- 6.59 · 6.59±0.20(Predicted)
- FDA UNII
- 1 GOF8W8XSL · 1GOF8W8XSL
Chemistry & industry
Preparation methods
Preparationcommonly known as yellow, purple hormone (Flavopurpurin). 9,10-Dioxo-9,10-dihydroanthracene-2,6-disulfonic acidunder pressure and Sodium hydroxide and Potassium chlorate and Sodium nitrate or Potassium nitrate heating, and at the same time will be generated 2, 6 – dihydroxyanthraquinone separation open.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Additional notes
DefinitionChEBI: Flavopurpurin is a trihydroxyanthraquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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