Basic information
- CAS
3096-52-4- Standard SMILES
O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21- InChIKey
AJEAHBZZHSLIQP-UHFFFAOYSA-N- Molecular formula
- C13H7NO3
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.04259309
Overview
RN given refers to cpd with nitro moiety in position 2
Names & identifiers
- Preferred name
- 2-Nitro-9-fluorenone
- IUPAC
- 2-nitrofluoren-9-one
- English name
- 2-Nitrofluorenone
- Molecular formula
- C13H7NO3
- Molecular weight
- 225.2
Names & synonyms
3096-52-42-Nitro-9-fluorenone2-Nitrofluorenone2-nitrofluoren-9-one9H-FLUOREN-9-ONE, 2-NITRO-2SC85737SSNSC-12365DTXSID70184942RefChem:88696DTXCID10107433622-431-92-Nitro-9H-fluoren-9-one
Show more names
3-Amino-9-fluorene2-Nitrofluorenone>2-NITROFLUORENE-9-ONE2-NITROFLUORENONE 98+%2-nitro-9h-fluoren-9-on
MFCD000011529-Fluorenone, 2-nitro2-NitrofluorenonOprea1_3782332-Nitro-9-fluorenone, 99%AJEAHBZZHSLIQP-UHFFFAOYSA-NSC12365SCHEMBL229511
Database identifiers
- CAS
3096-52-4- PubChem CID
- 18356
- DTXSID
DTXSID70184942- UNII
- 2SC85737SS
- EC Number
- 622-431-9
- Nikkaji
- J208.774J
Properties
Computed structural properties
- XLogP
- 3.5
- 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 PropertiesDensity
Physical DescriptionYellow powder; [TCI America MSDS]
Physicochemical properties
- Melting point
- 222 · 222-223 °C (lit.)
- Boiling point
- 366.7 °C · 366.7°C (rough estimate)
- Density
- 1.2785 · 1.2785 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- form
- Solid
- color
- Light yellow to Yellow to Orange
- InChI
- 1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H
- InChIKey
- AJEAHBZZHSLIQP-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc2-c3ccccc3C(=O)c2c1
- EWG's Food Scores
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [TCI America MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- LL9091000
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses2-Nitro-9-fluorenone is a mutagenic photoproduct of u.v.a.-irradiated 2-aminofluorene. 2-Nitro-9-fluorenone was isolated from diesel-exhaust particles using a two-step fractionation scheme consisting of Sephadex LH20 chromatography and silica-gel thin-layer chromatography. Submicromolar concentrations of 2-nitro-9-fluorenone were quantitated by mercury meniscus modified silver solid amalgam electrode combined with direct current voltammetry or differential pulse voltammetry.
General Description2-Nitro-9-fluorenone is a mutagenic photoproduct of u.v.a.-irradiated 2-aminofluorene. 2-Nitro-9-fluorenone was isolated from diesel-exhaust particles using a two-step fractionation scheme consisting of Sephadex LH20 chromatography and silica-gel thin-layer chromatography. Submicromolar concentrations of 2-nitro-9-fluorenone were quantitated by mercury meniscus modified silver solid amalgam electrode combined with direct current voltammetry or differential pulse voltammetry.
Upstream & downstream products
Downstream products
Suppliers45 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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