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Substance Name: 9,10-Anthracenedione, 1-nitro-
RN: 82-34-8
InChIKey: YCANAXVBJKNANM-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C14-H7-N-O4

Molecular Weight

  • 253.212
 
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Names and Synonyms

Synonyms

  • 1-Nitroanthrachinon
  • 1-Nitroanthrachinon [Czech]
  • 1-Nitroanthraquinone
  • 9,10-Anthracenedione, 1-nitro-
  • alpha-Nitroanthraquinone
  • EINECS 201-413-0
  • NSC 12125

Systematic Names

  • 1-Nitroanthraquinone
  • 9,10-Anthracenedione, 1-nitro-
  • Anthraquinone, 1-nitro-

Registry Numbers

CAS Registry Number

  • 82-34-8

System Generated Number

  • 0000082348

Structure Descriptors

InChI

1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H

InChIKey

YCANAXVBJKNANM-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)cccc2[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1540mg/kg (1540mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(4), Pg. 90, 1984.
rat LD50 intraperitoneal 1050mg/kg (1050mg/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 231.5 deg C   EXP
log P (octanol-water) 3.160 (none)   EST
Water Solubility 1.430 mg/L 25 EST
Henry's Law Constant 1.25E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.43E-13 cm3/molecule-sec 25 EST

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