Basic information
- CAS
6305-90-4- Standard SMILES
O=C1c2c(Cl)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21- InChIKey
OELAYHGIGDSWPY-UHFFFAOYSA-N- Molecular formula
- C14H4Cl2N2O6
- Average molar mass
- 367.1 g/mol
- Monoisotopic mass
- 365.9446412
Names & identifiers
- Preferred name
- 1,8-Dichloro-4,5-dinitroanthraquinone
- IUPAC
- 1,8-dichloro-4,5-dinitroanthracene-9,10-dione
- English name
- 1,8-dichloro-4,5-dinitroanthraquinone
- Molecular formula
- C14H4Cl2N2O6
- Molecular weight
- 367.1
Names & synonyms
1,8-Dichloro-4,5-dinitroanthraquinone6305-90-41,8-dichloro-4,5-dinitroanthracene-9,10-dioneNSC-37104NSC37104EINECS 228-616-7R2FBL6GS9R1,8-Dichloro-4,5-dinitro-9,10-anthracenedione9,10-Anthracenedione,1,8-dichloro-4,5-dinitro-SCHEMBL6824378DTXSID10212379OELAYHGIGDSWPY-UHFFFAOYSA-N
Show more names
NSC 371041,8-dinitro-4,5-dichloroanthraquinoneDS-009329NS000352719,10-Anthracenedione, 1,8-dichloro-4,5-dinitro-
Database identifiers
- CAS
6305-90-4- PubChem CID
- 80561
- DTXSID
DTXSID10212379- UNII
- R2FBL6GS9R
- EC Number
- 228-616-7
- Nikkaji
- J206.888E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 612.4 · 612.4±55.0 °C(Predicted)
- Density
- 1.776 · 1.776±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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