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Substance Name: Anthraquinone [BSI:ISO]
RN: 84-65-1
UNII: 030MS0JBDO
InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Avicide
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C14-H8-O2

Molecular Weight

  • 208.215
 

Names and Synonyms

Results Name

  • Anthraquinone [BSI:ISO]

Name of Substance

  • 9,10-Anthraquinone
  • Anthraquinone
  • Anthraquinone [BSI:ISO]

Synonyms

  • 9,10-Anthracenedione
  • 9,10-Anthrachinon
  • 9,10-Anthrachinon [Czech]
  • 9,10-Anthraquinone
  • 9,10-Dioxoanthracene
  • AI3-09073
  • Anthracene, 9,10-dihydro-9,10-dioxo-
  • Anthradione
  • Anthrapel
  • Anthraquinone
  • Bis-alkylamino anthraquinone
  • Caswell No. 052A
  • CCRIS 649
  • Corbit
  • EC 201-549-0
  • EINECS 201-549-0
  • EPA Pesticide Chemical Code 122701
  • Hoelite
  • HSDB 2074
  • Morkit
  • NSC 7957
  • UNII-030MS0JBDO

Systematic Names

  • 9,10-Anthracenedione
  • 9,10-Anthraquinone
  • Anthraquinone

Superlist Name

  • 9,10-Anthracenedione

Registry Numbers

CAS Registry Number

  • 84-65-1

FDA UNII

  • 030MS0JBDO

Other Registry Number

  • 790240-52-7

System Generated Number

  • 0000084651

Structure Descriptors

InChI

1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey

RZVHIXYEVGDQDX-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 37, 1991.
quail LD50 unreported > 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C23, 1991.
rat LC50 inhalation > 1300mg/m3/4H (1300mg/m3)   Pesticide Manual. Vol. 9, Pg. 37, 1991.
rat LD50 intraperitoneal 3500mg/kg (3500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977.
rat LD50 skin > 1gm/kg (1000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A019, Pg. 1983,
rat LDLo oral 15gm/kg (15000mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 22, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 286 deg C   EXP
Boiling Point 377 deg C   EXP
pKa Dissociation Constant 7.4 (none)   EXP
log P (octanol-water) 3.39 (none)   EXP
Water Solubility 1.35 mg/L 25 EXP
Vapor Pressure 1.16E-07 mm Hg 25 EXP
Henry's Law Constant 2.35E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

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