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Substance Name: 9,10-Anthracenedione, 1,5-dinitro-
RN: 82-35-9
InChIKey: XVMVHWDCRFNPQR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H6-N2-O6

Molecular Weight

  • 298.209
 
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Names and Synonyms

Synonyms

  • 1,5-Dinitroanthrachinon
  • 1,5-Dinitroanthrachinon [Czech]
  • 1,5-Dinitroanthraquinone
  • 4-07-00-02562 (Beilstein Handbook Reference)
  • 9,10-Anthracenedione, 1,5-dinitro-
  • BRN 2008432
  • EINECS 201-414-6
  • NSC 37583

Systematic Names

  • 1,5-Dinitroanthraquinone
  • 9,10-Anthracenedione, 1,5-dinitro-
  • Anthraquinone, 1,5-dinitro-

Registry Numbers

CAS Registry Number

  • 82-35-9

System Generated Number

  • 0000082359

Structure Descriptors

InChI

1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H

InChIKey

XVMVHWDCRFNPQR-UHFFFAOYSA-N

Smiles

c12c(C(c3c(cccc3C1=O)[N+](=O)[O-])=O)cccc2[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4750mg/kg (4750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(4), Pg. 90, 1984.
rat LD50 intraperitoneal 3130mg/kg (3130mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(4), Pg. 90, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 385 deg C   EXP
log P (octanol-water) 2.980 (none)   EST
Atmospheric OH Rate Constant 1.87E-13 cm3/molecule-sec 25 EST

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