2,7-Dinitro-9-fluorenone
Basic information
- CAS
31551-45-8- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21- InChIKey
HDVGAFBXTXDYIB-UHFFFAOYSA-N- Molecular formula
- C13H6N2O5
- Average molar mass
- 270.2 g/mol
- Monoisotopic mass
- 270.0276713
Overview
2,7-dinitro-9h-fluoren-9-one is a light green solid. Used a photo conducting material. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,7-Dinitro-9-fluorenone
- IUPAC
- 2,7-dinitrofluoren-9-one
- English name
- 2,7-Dinitro-9-fluorenone
- Molecular formula
- C13H6N2O5
- Molecular weight
- 270.2
Names & synonyms
2,7-Dinitro-9-fluorenone31551-45-82,7-DINITRO-9H-FLUOREN-9-ONE2,7-Dinitrofluorenone9H-Fluoren-9-one, 2,7-dinitro-Fluoren-9-one, 2,7-dinitro-9-Oxo-2,7-dinitrofluoreneR33RLL32YXNSC-86561DTXSID4025163RefChem:83440DTXCID705163
Show more names
2,7-Dinitro-9-oxo-9H-fluoreneDINITROFLUORENELABOTEST-BB LT001123172,7-Dinitro-9-fluorone2,7-dinitro-9-fluorenon2，7-Dinitro-5-fluorenone2,7-DINTIRO-FLUOREN-9-ONE
250-695-12,7-Dinitrofluoren-9-oneMFCD000011539-Fluorenone, 2,7-dinitro-CHEMBL424175CCRIS 2911EINECS 250-695-1NSC 86561
Database identifiers
- CAS
31551-45-8- PubChem CID
- 35842
- DTXSID
DTXSID4025163- ChEMBL
CHEMBL424175- UNII
- R33RLL32YX
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
LogP2.84
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point554 to 563 °F (NTP, 1992)
Vapor Pressure0.00000001 [mmHg]
Physical Description
2,7-dinitro-9h-fluoren-9-one is a light green solid. Used a photo conducting material. (NTP, 1992)
Light green solid; [CAMEO] Yellow to brown crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 292 · 292-295 °C (lit.)
- Boiling point
- 413.31 °C · 413.31°C (rough estimate)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [Acros Organics MSDS] See 1-Nitropyrene
Reactive GroupKetones
Reactivity Profile
A nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Chemistry & industry
Uses & manufacturing
UsesUsed as a photo-conductor; [CAMEO]
General Manufacturing Information9H-Fluoren-9-one, 2,7-dinitro-: ACTIVE
Applications
Uses2,7-Dinitro-9-fluorenone was used to develop sensor for determination of submicromolar concentrations of selected genotoxic nitro compounds using mercury meniscus modified silver solid amalgam electrode coupled with direct current voltammetry or differential pulse voltammetry. It was used to study mechanism of generation of spontaneous and mutation-induced deletion revertants of hisG428 in Salmonella tester strain TA102 .
General DescriptionLight green solid. Used a photo conducting material.
Related reactions
1 records
Compound notes
Loading…