Basic information
- CAS
53-95-2- Standard SMILES
CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
SOKUIEGXJHVFDV-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Overview
N-hydroxy-2-acetylaminofluorene is a cream colored powder. (NTP, 1992)
Names & identifiers
- Preferred name
- Hydroxyacetylaminofluorene
- IUPAC
- N-(9H-fluoren-2-yl)-N-hydroxyacetamide
- English name
- Hydroxyacetylaminofluorene
- Molecular formula
- C15H13NO2
- Molecular weight
- 239.27
Names & synonyms
N-Hydroxy-2-acetamidofluorene53-95-2HydroxyacetylaminofluoreneN-Hydroxy-2-acetylaminofluoreneNohfaaN-HYDROXY-2-(ACETYLAMINO)FLUORENE2-HydroxyacetylaminofluoreneN-Hydroxy acetylaminofluoreneN-Hydroxy-acetylaminofluoreneCCRIS 338N-Hydroxy-2-fluorenylacetamideHydroxyfluorenylacetamide
Show more names
N-Hydroxy-AAFN-HYDROXY-2-AAF2-(Acetylhydroxyamino)-9H-fluoreneN-HYDROXY-N-(2-FLUORENYL)ACETAMIDEN-Fluoren-2-ylacetohydroxamic acidN-Acetyl-N-2-fluorenylhydroxylamineN-Hydroxy-2-acetylamino-9H-fluorene
2-N-Hydroxy-acetylaminofluoreneUNII-6AGD02HUQC6AGD02HUQCBRN 2654276DTXSID2020719AI3-50466NSC-46522CHEBI:17931
Database identifiers
- CAS
53-95-2- PubChem CID
- 5896
- DTXSID
DTXSID2020719- ChEMBL
CHEMBL284464- ChEBI
CHEBI:17931- UNII
- 6AGD02HUQC
- Nikkaji
- J1.912G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 64 °F (NTP, 1992)
Melting Point277 to 279 °F (NTP, 1992)
Physical DescriptionN-hydroxy-2-acetylaminofluorene is a cream colored powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 140 · 140-143°C
- Boiling point
- 381.93 °C · 381.93°C (rough estimate)
- Density
- 1.1198 · 1.1198 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Light Yellow to Yellow
- Stability
- Stable. Incompatible with strong oxidizing agents.
- FDA UNII
- 6 AGD02HUQC · 6AGD02HUQC
- EPA Substance Registry System
- -2 · N-Hydroxy-2-acetylaminofluorene (53-95-2)
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; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
N-HYDROXY-2-ACETYLAMINOFLUORENE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water ReactionsInsoluble in 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 Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-Hydroxy-2-acetamidofluorene has known human metabolites that include (2S,3S,4S,5R)-6-[acetyl(9H-fluoren-2-yl)amino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid and 2-Acetylaminofluorene-N-sulfate.
Applications
UsesN-9H-Fluoren-2-yl-N-hydroxy-acetamide inactivates human arylamine N-acetyltransferases (NATs), NAT1 and NAT2. Mutagenicity examined in Salmonella typhimurium TA1538. Liver produced metabolite of the cancinogen 2-Acetamidofluorene (A158535), which is also a highly carcinogenic compound.
General DescriptionCream colored powder.
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: N-hydroxy-2-acetamidofluorene is a member of 2-acetamidofluorenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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