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Substance Name: m-Nitroacetanilide
RN: 122-28-1
UNII: QGH8S22NBP
InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-N2-O3

Molecular Weight

  • 180.162
 
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Names and Synonyms

Name of Substance

  • 3-Nitroacetanilide
  • m-Nitroacetanilide

Synonyms

  • 3'-Nitroacetanilide
  • 3-Nitro-N-acetylaniline
  • AI3-08832
  • EINECS 204-532-6
  • m-Nitroacetanilide
  • N-(3-Nitrophenyl)acetamide
  • N-Acetyl-m-nitroaniline
  • NSC 1314
  • UNII-QGH8S22NBP

Systematic Names

  • 3'-Nitroacetanilide
  • Acetamide, N-(3-nitrophenyl)-
  • Acetanilide, 3'-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 122-28-1

FDA UNII

  • QGH8S22NBP

System Generated Number

  • 0000122281

Structure Descriptors

InChI

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

InChIKey

KFTYNYHJHKCRKU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])NC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155 deg C   EXP
log P (octanol-water) 1.47 (none)   EXP
Water Solubility 9.17E+05 mg/L 124 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 1.19E-12 cm3/molecule-sec 25 EST

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