Basic information
- CAS
116-78-9- Standard SMILES
O=C1c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc([N+](=O)[O-])c2C(=O)c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc([N+](=O)[O-])c21- InChIKey
JPBCMHKLKIEZEF-UHFFFAOYSA-N- Molecular formula
- C26H10N6O16
- Average molar mass
- 662.4 g/mol
- Monoisotopic mass
- 662.01532825
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-
- IUPAC
- 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthracene-9,10-dione
- English name
- 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthraquinone
- Molecular formula
- C26H10N6O16
- Molecular weight
- 662.39
Names & synonyms
116-78-9EINECS 204-158-39,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-DTXSID7059438RefChem:548572DTXCID10333771,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthracene-9,10-dioneJPBCMHKLKIEZEF-UHFFFAOYSA-NAnthraquinone Impurity 51,5-Bis(2,4-dinitrophenoxy)-4,8-dinitroanthraquinoneNIOSH/CB6950300SCHEMBL11754620
Show more names
Mitoxantrone Impurity 41,5-Dinitro-4,8-bis(2,4-dinitrophenoxy)anthraquinone1,5-Bis[(2,4-dinitrophenyl)oxy]-4,8-dinitro-9,10-anthracenedione
CB69503000NS000237654,8-Dinitro-1,5-di(2,4-dinitrophenoxy)anthraquinoneAnthraquinone, 4,8-dinitro-1,5-di(2,4-dinitrophenoxy)-
Database identifiers
- CAS
116-78-9- PubChem CID
- 67009
- DTXSID
DTXSID7059438
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 328 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 4
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro- (116-78-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-: INACTIVE
Suppliers5 total
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…