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Substance Name: 4-Acetylaniline
RN: 99-92-3
UNII: 1S58KH902I
InChIKey: GPRYKVSEZCQIHD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C8-H9-N-O

Molecular Weight

  • 135.1651
 
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Names and Synonyms

Name of Substance

  • 4-Acetylaniline
  • 4-Aminoacetophenone

Synonyms

  • 1-(4-Aminophenyl)ethanone
  • 4'-Aminoacetophenone
  • 4-14-00-00100 (Beilstein Handbook Reference)
  • 4-Acetylaniline
  • Acetophenone, 4-amino-
  • Acetophenone, p-amino-
  • AI3-01092
  • BRN 0471493
  • CCRIS 5061
  • EINECS 202-801-2
  • Ethanone, 1-(4-aminophenyl)-
  • HSDB 2711
  • NSC 3242
  • p-Acetylaniline
  • p-Aminoacetofenonu
  • p-Aminoacetofenonu [Polish]
  • p-Aminoacetophenone
  • p-Aminoacetylbenzene
  • UNII-1S58KH902I
  • USAF EK-631

Systematic Names

  • 4'-Aminoacetophenone
  • Acetophenone, 4'-amino- (8CI)
  • Acetophenone, p-amino-
  • Ethanone, 1-(4-aminophenyl)-

Registry Numbers

CAS Registry Number

  • 99-92-3

FDA UNII

  • 1S58KH902I

System Generated Number

  • 0000099923

Structure Descriptors

InChI

1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3

InChIKey

GPRYKVSEZCQIHD-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 133mg/kg (133mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
dog LD oral > 70mg/kg (70mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 31, 1944.
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 596mg/kg (596mg/kg)   General Pharmacology. Vol. 14, Pg. 465, 1983.
rat LD50 intraperitoneal 260mg/kg (260mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 31, 1944.
rat LD50 oral 381mg/kg (381mg/kg)   General Pharmacology. Vol. 14, Pg. 465, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106 deg C   EXP
Boiling Point 294 deg C   EXP
pKa Dissociation Constant 2.75 (none) 25 EXP
log P (octanol-water) 0.83 (none)   EXP
Water Solubility 3350 mg/L 37 EXP
Vapor Pressure 9.89E-03 mm Hg 25 EST
Henry's Law Constant 3.47E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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