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Substance Name: 1,4-Naphthoquinone, 2-anilino-3-chloro-
RN: 1090-16-0
InChIKey: CIWCIDRTACZSAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-Cl-N-O2

Molecular Weight

  • 283.713
 
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Names and Synonyms

Synonyms

  • 2-Anilino-3-chloro-1,4-naphthoquinone
  • 2-Chloro-3-(phenylamino)-1,4-naphthoquinone
  • 4-14-00-00405 (Beilstein Handbook Reference)
  • BRN 1981676
  • NSC 4285
  • RTECS QW2660000

Systematic Name

  • 1,4-Naphthoquinone, 2-anilino-3-chloro-

Registry Numbers

CAS Registry Number

  • 1090-16-0

System Generated Number

  • 0001090160

Structure Descriptors

InChI

1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H

InChIKey

CIWCIDRTACZSAZ-UHFFFAOYSA-N

Smiles

c12c(C(C(Cl)=C(C1=O)Nc1ccccc1)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 570, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214-216 deg C   EXP
log P (octanol-water) 4.22 (none)   EXP
Water Solubility 3.800 mg/L 25 EST
Vapor Pressure 5.05E-08 mm Hg 25 EST
Henry's Law Constant 3.35E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.51E-11 cm3/molecule-sec 25 EST

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