7-Nitro-9H-fluoren-2-ol
Basic information
- CAS
6633-40-5- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2- InChIKey
VFTOHJFKIJLYKN-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Overview
2-hydroxy-7-nitrofluorene is a solid.
Names & identifiers
- Preferred name
- 7-Nitro-9H-fluoren-2-ol
- IUPAC
- 7-nitro-9H-fluoren-2-ol
- English name
- 2-Hydroxy-7-nitrofluorene
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
7-Nitro-9H-fluoren-2-ol2-Hydroxy-7-nitrofluorene6633-40-57-Nitrofluoren-2-ol7-Hydroxy-2-nitrofluorene9H-Fluoren-2-ol, 7-nitro-NSC-56690Y7H6768WBKDTXSID2074871RefChem:87475DTXCID9044794MLS002667838
Show more names
7-Nitro2-Hydroxy-7-nitro-9H-fluorene
NSC 56690CCRIS 8020FLUOREN-2-OL, 7-NITRO-BRN 2532810HNFNSC56690CHEMBL165314HMS3089B11
Database identifiers
- CAS
6633-40-5- PubChem CID
- 23119
- DTXSID
DTXSID2074871- ChEMBL
CHEMBL165314- UNII
- Y7H6768WBK
- Nikkaji
- J308.968A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Physical Description2-hydroxy-7-nitrofluorene is a solid.
Physicochemical properties
- Melting point
- 234 °C · >234°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO, Ethyl Acetate
- form
- Solid
- color
- Yellow
- EPA Substance Registry System
- 2 · 2-Hydroxy-7-nitrofluorene (6633-40-5)
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)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile
Organonitrate compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
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.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
Chemistry & industry
Applications
UsesA major metabolite of 2-nitrofluorene (NF). It exhibits a significant estrogenic activity.
General DescriptionSolid.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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