Hydroxyacetylaminofluorene
Grundinformationen
- CAS
53-95-2- Standard-SMILES
CC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
SOKUIEGXJHVFDV-UHFFFAOYSA-N- Summenformel
- C15H13NO2
- Durchschnittliche Molmasse
- 239,27 g/mol
- Monoisotopische Masse
- 239,09462866
Überblick
N-hydroxy-2-acetylaminofluorene is a cream colored powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Hydroxyacetylaminofluorene
- IUPAC
- N-(9H-fluoren-2-yl)-N-hydroxyacetamide
- Englischer Name
- Hydroxyacetylaminofluorene
- Summenformel
- C15H13NO2
- Molmasse
- 239.27
Namen und Synonyme
N-Hydroxy-2-acetamidofluorene53-95-2HydroxyacetylaminofluoreneN-Hydroxy-2-acetylaminofluoreneNohfaaN-HYDROXY-2-(ACETYLAMINO)FLUORENE2-HydroxyacetylaminofluoreneN-Hydroxy acetylaminofluoreneN-Hydroxy-acetylaminofluoreneCCRIS 338N-Hydroxy-2-fluorenylacetamideHydroxyfluorenylacetamide
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
53-95-2- PubChem CID
- 5896
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 330
Experimentelle und physikochemische Eigenschaften
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)
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-143°C
- Siedepunkt
- 381.93 °C · 381.93°C (rough estimate)
- Dichte
- 1.1198 · 1.1198 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Light Yellow to Yellow
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
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.
Sicherheit und Schutzausrüstung
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.
Chemie und Industrie
Pharmakologische Informationen
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.
Anwendungen
VerwendenN-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.
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