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Substance Name: Dibenzopyrazine
RN: 92-82-0
UNII: 2JHR6K463W
InChIKey: PCNDJXKNXGMECE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C12-H8-N2

Molecular Weight

  • 180.209
 
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Names and Synonyms

Name of Substance

  • Dibenzopyrazine

Synonyms

  • 5-23-08-00389 (Beilstein Handbook Reference)
  • 9,10-Diazaanthracene
  • Acridizine
  • AI3-00065
  • Azophenylene
  • BRN 0126500
  • Dibenzoparadiazine
  • Dibenzopyrazine
  • EINECS 202-193-9
  • Phenazine
  • UNII-2JHR6K463W

Systematic Name

  • Phenazine

Registry Numbers

CAS Registry Number

  • 92-82-0

FDA UNII

  • 2JHR6K463W

System Generated Number

  • 0000092820

Structure Descriptors

InChI

1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChIKey

PCNDJXKNXGMECE-UHFFFAOYSA-N

Smiles

c12c(nc3ccccc3n1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 273, 1975.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02474,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 176.5 deg C   EXP
Boiling Point >360 deg C   EXP
pKa Dissociation Constant 1.19 (none) 20 EXP
log P (octanol-water) 2.84 (none)   EXP
Water Solubility 16 mg/L 25 EST
Vapor Pressure 3.26E-05 mm Hg 25 EST
Henry's Law Constant 2.78E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.50E-12 cm3/molecule-sec 25 EST

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