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Substance Name: 2,4-Dinitrophenylacetic acid
RN: 643-43-6
InChIKey: GZSYUSWRSRHPNY-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2-O6

Molecular Weight

  • 226.143
 
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Names and Synonyms

Name of Substance

  • 2,4-Dinitrophenylacetic acid

Synonyms

  • (2,4-Dinitrophenyl)acetic acid
  • 4-09-00-01691 (Beilstein Handbook Reference)
  • Acetic acid, (2,4-dinitrophenyl)-
  • AI3-01812
  • Benzeneacetic acid, 2,4-dinitro-
  • BRN 1990798
  • EINECS 211-398-2
  • NSC 6225

Systematic Names

  • 2,4-Dinitrophenylacetic acid
  • Acetic acid, (2,4-dinitrophenyl)-
  • Benzeneacetic acid, 2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 643-43-6

System Generated Number

  • 0000643436

Structure Descriptors

InChI

1S/C8H6N2O6/c11-7(6-4-2-1-3-5-6)16-8(9(12)13)10(14)15/h1-5,8H

InChIKey

GZSYUSWRSRHPNY-UHFFFAOYSA-N

Smiles

c1(C(OC([N+](=O)[O-])[N+](=O)[O-])=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 172 deg C   EXP
pKa Dissociation Constant 3.5 (none) 25 EXP
log P (octanol-water) 1.060 (none)   EST
Water Solubility 3990 mg/L 25 EST
Vapor Pressure 6.06E-07 mm Hg 25 EST
Henry's Law Constant 6.88E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-12 cm3/molecule-sec 25 EST

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