9,10-Phenanthrenedione, 4-nitro-
Basic information
- CAS
13292-03-0- Standard SMILES
O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccccc21- InChIKey
ZJQSMTNUXDRCDQ-UHFFFAOYSA-N- Molecular formula
- C14H7NO4
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.0375077
Names & identifiers
- Preferred name
- 9,10-Phenanthrenedione, 4-nitro-
- IUPAC
- 4-nitrophenanthrene-9,10-dione
- English name
- 9,10-Phenanthrenedione, 4-nitro-
- Molecular formula
- C14H7NO4
- Molecular weight
- 253.21
Names & synonyms
4-Nitro-9,10-phenanthrenedione9,10-Phenanthrenedione, 4-nitro-13292-03-0CHEMBL501494-nitrophenanthrene-9,10-dioneNSC10204SCHEMBL2599396DTXSID501578564-Nitro-phenanthrene-9,10 dione4-Nitro-phenanthrene-9,10-dione4-nitro-9,10-phenanthrene-quinoneBDBM50099742
Show more names
NSC 10204NSC-10204AKOS024405758
Database identifiers
- CAS
13292-03-0- PubChem CID
- 94948
- DTXSID
DTXSID50157856- ChEMBL
CHEMBL50149- EC Number
- 103-508-1
- Nikkaji
- J1.562.938J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
LogP2.6
Physicochemical properties
- Melting point
- 178.3 · 178.3-178.8 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 474.3 · 474.3±24.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Suppliers
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Related reactions
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Compound notes
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