Basic information
- CAS
42135-22-8- Standard SMILES
O=C1c2ccccc2-c2cc([N+](=O)[O-])ccc21- InChIKey
GLVSVKSIYXDZHY-UHFFFAOYSA-N- Molecular formula
- C13H7NO3
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.04259309
Overview
3-nitro-9-fluorenone is a solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 3-Nitro-9H-fluoren-9-one
- IUPAC
- 3-nitrofluoren-9-one
- English name
- 3-nitrofluoren-9-one
- Molecular formula
- C13H7NO3
- Molecular weight
- 225.2
Names & synonyms
3-Nitrofluorenone3-Nitro-9-fluorenone42135-22-83-Nitro-9H-fluoren-9-oneUCA2S9B5TSNSC-90801DTXSID9075325RefChem:504496DTXCID1040037255-675-63-Nitrofluoren-9-one9H-Fluoren-9-one, 3-nitro-
Show more names
NSC 9080
3-Nitro-fluoren-9-oneMFCD00001147CCRIS 2910EINECS 255-675-6NSC 90801BRN 2583993UNII-UCA2S9B5TS4-07-00-01637 (Beilstein Handbook Reference)
Database identifiers
- CAS
42135-22-8- PubChem CID
- 39141
- DTXSID
DTXSID9075325- ChEMBL
CHEMBL354533- UNII
- UCA2S9B5TS
- EC Number
- 255-675-6
- Nikkaji
- J1.049I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesChemical shift
LogP3.06
Melting Point430 to 437 °F (NTP, 1992)
Vapor Pressure0.00000089 [mmHg]
Physical Description
3-nitro-9-fluorenone is a solid. (NTP, 1992)
Solid; [CAMEO]
Physicochemical properties
- Melting point
- 239.5 °C · 239.5°C
- Boiling point
- 366.7 °C · 366.7°C (rough estimate)
- Density
- 1.2785 · 1.2785 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- FDA UNII
- 2 S9B5TS · UCA2S9B5TS
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummarySee Fluorene and Fluorenone.
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 ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Chemistry & industry
Applications
Uses3-Nitrofluorenone is a nitrated polycyclic aromatic hydrocarbon (PAH) with mutagenic activity.
General DescriptionSolid.
Upstream & downstream products
Downstream products
Suppliers22 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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