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Substance Name: 2,4-Dinitroanisole
RN: 119-27-7
UNII: 1L0OD70295
InChIKey: CVYZVNVPQRKDLW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Mutation Data
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C7-H6-N2-O5

Molecular Weight

  • 198.1334
 
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Names and Synonyms

Name of Substance

  • 2,4-Dinitroanisole

Synonyms

  • 1-Methoxy-2,4-dinitrobenzene
  • 2,4-Dinitroanisol
  • 2,4-Dinitroanisole
  • 2,4-Dinitrophenyl methyl ether
  • 2,4-Dinitrophenylmethyl ether
  • 4-06-00-01372 (Beilstein Handbook Reference)
  • AI3-00184
  • Anisole, 2,4-dinitro-
  • BRN 1881474
  • Caswell No. 388A
  • CCRIS 1803
  • Dinitroanisole
  • EINECS 204-310-9
  • EPA Pesticide Chemical Code 037503
  • NSC 8733
  • UNII-1L0OD70295

Systematic Names

  • 1-Methoxy-2,4-dinitrobenzene
  • 2,4-Dinitroanisole
  • Anisole, 2,4-dinitro- (8CI)
  • Benzene, 1-methoxy-2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 119-27-7

FDA UNII

  • 1L0OD70295

System Generated Number

  • 0000119277

Structure Descriptors

InChI

1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3

InChIKey

CVYZVNVPQRKDLW-UHFFFAOYSA-N

Smiles

COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 100mg/kg (100mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94.5 deg C   EXP
log P (octanol-water) 1.710 (none)   EST
Water Solubility 155 mg/L 15 EXP
Vapor Pressure 1.38E-04 mm Hg 25 EST
Henry's Law Constant 4.96E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-12 cm3/molecule-sec 25 EST

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