Basic information
- CAS
6486-93-7- Standard SMILES
O=C1c2ccc(O)c(O)c2C(=O)c2cccc(O)c21- InChIKey
FMRLRBCECZNJNN-UHFFFAOYSA-N- Molecular formula
- C14H8O5
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.03717335
Names & identifiers
- Preferred name
- 1,2,5-Trihydroxyanthraquinone
- IUPAC
- 1,2,5-trihydroxyanthracene-9,10-dione
- English name
- 1,2,5-Trihydroxyanthraquinone
- Molecular formula
- C14H8O5
- Molecular weight
- 256.21
Names & synonyms
6486-93-71,2,5-trihydroxyanthracene-9,10-dione1,2,5-TRIHYDROXYANTHRAQUINONENSC401143C.I. 582309, 1,2,5-trihydroxy-1,2,5-TrihydroxyanthrachinonAnthraquinone,2,5-trihydroxy-CHEMBL192428SCHEMBL3185453SCHEMBL29929596SCHEMBL30695841
Show more names
C.I.58230Mordant Red 45HydroxyanthrarufinC.I.Mordant Red 452-hydroxylanthrarufinC.I.Mordant Red 45:C.I.58230Brilliant Alizarine Bordeaux RAnthraquinone, 1,2,5-trihydroxy-
DTXSID40331209FMRLRBCECZNJNN-UHFFFAOYSA-NAKOS015963443NSC-401143
Database identifiers
- CAS
6486-93-7- PubChem CID
- 436367
- DTXSID
DTXSID40331209- ChEMBL
CHEMBL192428- Nikkaji
- J8.414J
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 273 · 273-274 °C
- Boiling point
- 467.2 · 467.2±40.0 °C(Predicted)
- Density
- 1.659 · 1.659±0.06 g/cm3(Predicted)
- pka
- 6.51 · 6.51±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation(a) in the presence of Boric acid, with fuming sulfuric acid oxidation 1,2-Dihydroxyanthracene-9,10-dione , and hydrolysis; (b) 5,6-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acidand sodium hydroxide reaction; (c) 1,5-Dihydroxyanthracene-9,10-dione with Sodium nitrate and Sodium hydroxide or had better use Sodium hydroxide and Potassium hydroxide mixture for oxidation.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
APAC Pharmaceutical, LLC[email protected]
Leancare Ltd.[email protected]
AlliChem, LLC[email protected]
CHEMPACIFIC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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