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Substance Name: P-Nitroacetanilide
RN: 104-04-1
UNII: PH3B066365
InChIKey: NQRLPDFELNCFHW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C8-H8-N2-O3

Molecular Weight

  • 180.162
 
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Names and Synonyms

Name of Substance

  • 4-Nitroacetanilide
  • p-Nitroacetanilide

Synonyms

  • 4-Nitroacetanilide
  • Acetanilide, p-nitro-
  • AI3-01545
  • CCRIS 5566
  • EINECS 203-169-0
  • N-(4-Nitrophenyl)acetamide
  • N-Acetyl-4-nitroaniline
  • N-Acetyl-p-nitroaniline
  • NSC 1315
  • p-Acetamidonitrobenzene
  • p-Nitroacetanilide
  • p-Nitrophenylacetanilide
  • UNII-PH3B066365

Systematic Names

  • 4'-Nitroacetanilide
  • Acetamide, N-(4-nitrophenyl)-
  • Acetanilide, 4'-nitro- (8CI)
  • Acetanilide, p-nitro-
  • p-Nitroacetanilide

Registry Numbers

CAS Registry Number

  • 104-04-1

FDA UNII

  • PH3B066365

System Generated Number

  • 0000104041

Structure Descriptors

InChI

1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey

NQRLPDFELNCFHW-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)NC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 10, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 216 deg C   EXP
log P (octanol-water) 1.66 (none)   EXP
Water Solubility 2200 mg/L 25 EXP
Vapor Pressure 5.00E-06 mm Hg 25 EST
Henry's Law Constant 2.44E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.65E-12 cm3/molecule-sec 25 EST

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