Basic information
- CAS
1963-82-2- Standard SMILES
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cccc1C2=O- InChIKey
BDYRYAFJCKWMGQ-UHFFFAOYSA-N- Molecular formula
- C18H12O6
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.0633881
Names & identifiers
- Preferred name
- 1,8-Diacetoxyanthraquinone
- IUPAC
- (8-acetyloxy-9,10-dioxoanthracen-1-yl) acetate
- English name
- 1,8-Diacetoxyanthraquinone
- Molecular formula
- C18H12O6
- Molecular weight
- 324.28
Names & synonyms
1,8-DiacetoxyanthraquinoneChrysazin diacetate1,8-Bis(acetyloxy)-9,10-anthracenedione1,8-Diacetoxy-9,10-anthraquinone9S85RH6LIVNSC 234747BRN 1916388DANTRON DIACETATEUNII-9S85RH6LIVNSC-234747DTXSID201733063-08-00-03793 (Beilstein Handbook Reference)
Show more names
ACETIC ACID 8-ACETOXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-1-YL ESTER
RefChem:73730DTXCID10957971963-82-21,8-Dihydroxyanthraquinone diacetate9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate9,10-Anthracenedione, 1,8-bis(acetyloxy)-ANTHRAQUINONE, 1,8-DIHYDROXY-, DIACETATE(8-acetyloxy-9,10-dioxoanthracen-1-yl) acetate
Database identifiers
- CAS
1963-82-2- PubChem CID
- 16068
- DTXSID
DTXSID20173306- UNII
- 9S85RH6LIV
- EC Number
- 148-437-7
- Nikkaji
- J55.276C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- FDA UNII
- 9 S85RH6LIV · 9S85RH6LIV
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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