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Substance Name: 2,6-Dichloroindophenol sodium
RN: 620-45-1
UNII: KAD7Q8XO1Y
InChIKey: CVSUAFOWIXUYQA-UHFFFAOYSA-M

Note

  • A dye used as a reagent in the determination of vitamin C.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H7-Cl2-N-O2.Na

Molecular Weight

  • 290.08
 
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Names and Synonyms

Results Name

  • 2,6-Dichloroindophenol sodium

Name of Substance

  • 2,6-Dichloroindophenol sodium

Synonyms

  • 2,6-Dichlor-N-(4-hydroxyphenyl)-p-benzochinoninum
  • 2,6-Dichloro-4-((p-hydroxyphenyl)imino)-2,5-cyclohexadien-1-one sodium salt
  • 2,6-Dichloroindophenol sodium
  • 2,6-Dichloroindophenol, sodium salt
  • 2,6-Dichlorophenol indophenol sodium salt
  • AI3-63015
  • Dichlorphenol-indophenolnatrium
  • EINECS 210-640-4
  • Indophenol, 2,6-dichloro-, sodium salt
  • NSC 11217
  • NSC 17842
  • Sodium 2,6-dichloroindophenol
  • Sodium 2,6-dichloroindophenolate
  • Tillman's reagenz
  • UNII-KAD7Q8XO1Y

Systematic Names

  • 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((4-hydroxyphenyl)imino)-, sodium salt
  • 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((4-hydroxyphenyl)imino)-, sodium salt (1:1)
  • 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((p-hydroxyphenyl)imino)-, sodium salt
  • Indophenol, 2,6-dichloro-, sodium salt (8CI)
  • Sodium 4-(3,5-dichloro-4-oxocyclohexa-2,5-dienylideneamino)phenoxide
  • Sodium, (p-((3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)amino)phenoxyl)- (7CI)

Registry Numbers

CAS Registry Number

  • 620-45-1

FDA UNII

  • KAD7Q8XO1Y

System Generated Number

  • 0000620451

Molecular Formulas

Molecular Formula

  • C12-H7-Cl2-N-O2.Na

Molecular Formula Fragments

  • C12-H7-Cl2-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1

InChIKey

CVSUAFOWIXUYQA-UHFFFAOYSA-M

Smiles

C1(C(=CC(\C=C1Cl)=N/c1ccc([O-])cc1)Cl)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 349, 1982.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04765,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.130 (none)   EST
Atmospheric OH Rate Constant 3.64E-11 cm3/molecule-sec 25 EST

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