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Substance Name: Gibbs reagent
RN: 101-38-2
UNII: Y19A13RZO0
InChIKey: YHUMTHWQGWPJOQ-UHFFFAOYSA-N

Note

  • Universal thin-layer chromatographic visualization reagent.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H2-Cl3-N-O

Molecular Weight

  • 210.447
 
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Names and Synonyms

Name of Substance

  • Gibbs reagent
  • N,2,6-Trichloro-4-benzoquinone imine

Synonyms

  • 2,5-Cyclohexadien-1-one, 4-chloroimino-2,6-dichloro-
  • 2,6-Dichloro-4-(chloroimino)-2,5-cyclohexadien-1-one
  • 2,6-Dichloro-4-N-chloroquinonimine
  • 2,6-Dichlorobenzoquinone chloroimide
  • 2,6-Dichloroquinone chloroimide
  • 2,6-Dichloroquinone-4-chloroimide
  • 2,6-Dichloroquinone-4-chloroimine
  • 2,6-Dichloroquinonechloroimine
  • 3-07-00-03377 (Beilstein Handbook Reference)
  • 4-Chloroimino-2,6-dichloro-2,5-cyclohexadiene-1-one
  • AI3-52333
  • BRN 2364249
  • EINECS 202-937-2
  • Gibbs reagent
  • N,2,6-Trichloro-p-benzoquinone imine
  • N,2,6-Trichloro-p-benzoquinonimine
  • N,2,6-Trichlorobenzoquinone imine
  • NSC 6293
  • p-Benzoquinone imine, N,2,6-trichloro-
  • UNII-Y19A13RZO0

Systematic Names

  • 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-
  • 2,5-Cyclohexadien-1-one, 4-chloroimino-2,6-dichloro-
  • 2,6-Dichloro-4-(chloroimino)-2,5-cyclohexadien-1-one
  • 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone

Registry Numbers

CAS Registry Number

  • 101-38-2

FDA UNII

  • Y19A13RZO0

Other Registry Number

  • 64216-21-3

System Generated Number

  • 0000101382

Structure Descriptors

InChI

1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChIKey

YHUMTHWQGWPJOQ-UHFFFAOYSA-N

Smiles

C1(\C=C(C(=O)C(=C1)Cl)Cl)=N/Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 11, 1978.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00254,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 21, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
log P (octanol-water) 2.450 (none)   EST
Atmospheric OH Rate Constant 1.28E-11 cm3/molecule-sec 25 EST

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