Basic information
- CAS
16203-97-7- Standard SMILES
CC(=O)Oc1cccc2cc3cccc(OC(C)=O)c3c(OC(C)=O)c12- InChIKey
IPWOSICBVUXMML-UHFFFAOYSA-N- Molecular formula
- C20H16O6
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.09468823
Names & identifiers
- Preferred name
- 1,8,9-Triacetoxyanthracene
- IUPAC
- (8,9-diacetyloxyanthracen-1-yl) acetate
- English name
- 1,8,9-triacetoxyanthracene
- Molecular formula
- C20H16O6
- Molecular weight
- 352.34
Names & synonyms
Exolan1,8,9-TriacetoxyanthraceneAnthralin triacetateDithranol triacetateTriacetyldithranol16203-97-7(8,9-diacetyloxyanthracen-1-yl) acetate5JQ8U9U95XDianthrol triacetateAnthralin, triacetateAnthracene, 1,8,9-triacetoxy-1,8,9-Tris(acetyloxy)anthracene
Show more names
1,8,9-triacetyloxyanthracene1,8,9-Anthracenetriol triacetate1,8,9-Anthracenetriol, 1,8,9-triacetate
EINECS 240-333-0BRN 2180447UNII-5JQ8U9U95X1,8,9-ANTHRACENETRIOL, TRIACETATETRIACETOXYANTHRENE1,8,9-triacetoxy-anthracene3-06-00-06560 (Beilstein Handbook Reference)CHEMBL335263
Database identifiers
- CAS
16203-97-7- PubChem CID
- 27751
- DTXSID
DTXSID20167301- ChEMBL
CHEMBL335263- UNII
- 5JQ8U9U95X
- EC Number
- 240-333-0
- Nikkaji
- J14.764H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Experimental & physicochemical properties
LogP2.02
Physicochemical properties
- Melting point
- 209.5 °C · 209.5°C
- Boiling point
- 445.96 °C · 445.96°C (rough estimate)
- Density
- 1.2648 · 1.2648 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- color
- Yellow needles
- FDA UNII
- 5 JQ8U9U95X · 5JQ8U9U95X
- Toxicity
- 330 mg · eye-rbt 330 mg SEV BJOPAL 53,819,69
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- eye-rbt 330 mg SEV BJOPAL 53,819,69
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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