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Substance Name: 2-Acetylaminofluorene
RN: 53-96-3
UNII: 9M98QLJ2DL
InChIKey: CZIHNRWJTSTCEX-UHFFFAOYSA-N

Note

  • A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.

Molecular Formula

  • C15-H13-N-O

Molecular Weight

  • 223.274
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 1 lb
  • TWA see 1910.1014

NIOSH Health Hazards

  • Cancer Site in Animals: Tumors of the Liver, Bladder, Lungs, Skin & Pancreas
  • Exposure Routes: Inhalation, Skin Absorption, Ingestion, Skin and/or Eye Contact
  • Potential Occupational Carcinogen
  • Symptoms: Reduced Function of Liver, Kidneys, Bladder, Pancreas

Names and Synonyms

Name of Substance

  • 2-Acetylaminofluorene

MeSH Heading

  • 2-Acetylaminofluorene

Synonyms

  • 2-(Acetylamino)fluorene
  • 2-AAF
  • 2-Acetamidofluorene
  • 2-Acetaminofluorene
  • 2-Acetoaminofluorene
  • 2-Acetylaminfluorene
  • 2-Acetylamino-fluoren
  • 2-Acetylamino-fluoren [German]
  • 2-Acetylaminofluorene
  • 2-Aminoacetylfluorene
  • 2-FAA
  • 2-Fluorenil acetamide
  • 2-Fluorenylacetamide
  • 4-12-00-03373 (Beilstein Handbook Reference)
  • Acetoaminofluorene
  • Acetylaminofluorene
  • AI3-52433
  • Azetylaminofluoren
  • Azetylaminofluoren [German]
  • BRN 2807677
  • CCRIS 1
  • EINECS 200-188-6
  • FAA
  • Fluorene, 2-acetamido-
  • HSDB 4077
  • N-2-Fluorenylacetamide
  • N-9H-Fluoren-2-ylacetamide
  • N-Acetyl-2-aminofluorene
  • NSC 12279
  • RCRA waste number U005
  • UNII-9M98QLJ2DL

Systematic Names

  • 2-Acetylaminofluorene
  • Acetamide, N-9H-fluoren-2-yl-
  • Acetamide, N-fluoren-2-yl-
  • N-Fluoren-2-ylacetamide

Superlist Names

  • 2-Acetylaminofluorene
  • Acetamide, N-9H-fluoren-2-yl-
  • RCRA waste no. U005

Registry Numbers

CAS Registry Number

  • 53-96-3

FDA UNII

  • 9M98QLJ2DL

Other Registry Number

  • 2508-21-6

System Generated Number

  • 0000053963

Structure Descriptors

InChI

1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)

InChIKey

CZIHNRWJTSTCEX-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)Cc1cc(NC(C)=O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470mg/kg (470mg/kg)   Mutation Research. Vol. 223, Pg. 361, 1989.
mouse LD50 oral 810mg/kg (810mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
Proceedings of the Society for Experimental Biology and Medicine. Vol. 143, Pg. 1117, 1973.
rat LDLo intraperitoneal > 200mg/kg (200mg/kg)   Archives of Toxicology. Vol. 56, Pg. 151, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 193 deg C   EXP
Boiling Point 303 deg C   EXP
log P (octanol-water) 3.120 (none)   EST
Water Solubility 5.530 mg/L 25 EST
Vapor Pressure 9.44E-08 mm Hg 25 EST
Henry's Law Constant 1.92E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.69E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.