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Substance Name: Benzene, 1-nitro-2-phenoxy-
RN: 2216-12-8
InChIKey: VNHGETRQQSYUGZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N-O3

Molecular Weight

  • 215.207
 
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Names and Synonyms

Synonyms

  • 1-Nitro-2-phenoxybenzene
  • 2-Nde
  • 2-Nitrodiphenyl ether
  • 2-Nitrophenyl phenyl ether
  • 4-06-00-01252 (Beilstein Handbook Reference)
  • AI3-14819
  • BRN 2051914
  • EINECS 218-684-6
  • Ether, 2-nitrophenyl phenyl
  • Ether, o-nitrophenyl phenyl
  • NSC 5419
  • o-Nitrophenyl phenyl ether
  • Phenyl o-nitrophenyl ether

Systematic Names

  • 1-Nitro-2-phenoxybenzene
  • Benzene, 1-nitro-2-phenoxy-
  • Ether, 2-nitrophenyl phenyl

Registry Numbers

CAS Registry Number

  • 2216-12-8

System Generated Number

  • 0002216128

Structure Descriptors

InChI

1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H

InChIKey

VNHGETRQQSYUGZ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])Oc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 838mg/kg (838mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA
Toxicology. Vol. 8, Pg. 347, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 4.34E-12 cm3/molecule-sec 25 EST

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