9,10-Anthracenedione, 1,4-diamino-2-bromo-5-nitro-
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Basic information
- CAS
68516-55-2- Standard SMILES
Nc1cc(Br)c(N)c2c1C(=O)c1c(cccc1[N+](=O)[O-])C2=O- InChIKey
XSTBDPPWAZQHLQ-UHFFFAOYSA-N- Molecular formula
- C14H8BrN3O4
- Average molar mass
- 362.13 g/mol
- Monoisotopic mass
- 360.96982
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-diamino-2-bromo-5-nitro-
- IUPAC
- 1,4-diamino-2-bromo-5-nitroanthracene-9,10-dione
- English name
- 1,4-diamino-2-bromo-5-nitroanthraquinone
- Molecular formula
- C14H8BrN3O4
- Molecular weight
- 362.13502
Names & synonyms
68516-55-2EINECS 271-160-99,10-Anthracenedione, 1,4-diamino-2-bromo-5-nitro-DTXSID60715842-Bromo-9,10-dihydro-5-nitro-9,10-dioxo-1,4-diaminoanthraceneRefChem:548557DTXCID60460501,4-Diamino-2-bromo-5-nitroanthraquinone1,4-diamino-2-bromo-5-nitroanthracene-9,10-dioneSCHEMBL11756612XSTBDPPWAZQHLQ-UHFFFAOYSA-NNS00036622
Show more names
1,4-Diamino-2-bromo-5-nitro-9,10-anthracenedione
Database identifiers
- CAS
68516-55-2- PubChem CID
- 5485529
- DTXSID
DTXSID6071584- EC Number
- 271-160-9
- Nikkaji
- J332.473G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,4-diamino-2-bromo-5-nitro- (68516-55-2)
- 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, 1,4-diamino-2-bromo-5-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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