Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Toluylene blue
RN: 97-26-7
UNII: HQE5440EAM
InChIKey: SRAVWPVICTXESG-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-N4.Cl

Molecular Weight

  • 290.796
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Toluylene Blue

Synonyms

  • (4-((4,6-Diamino-m-tolyl)imino)-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride
  • C.I. 49410
  • Chloride of diamino-methyl-phenyl-dimethyl-p-benzoquinone-diimine
  • EINECS 202-569-2
  • Modr Toluylenova
  • Modr Toluylenova [Czech]
  • NSC 11226
  • Toluylene Blue
  • Toluylene Blue (biological stain)
  • Toluylene Blue (VAN)
  • UNII-HQE5440EAM

Systematic Names

  • (4-((4,6-Diamino-m-tolyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride
  • Ammonium, (4-((4,6-diamino-m-tolyl)imino)-2,5-cyclohexadien-1-ylidene)dimethyl-, chloride
  • Methanaminium, N-(4-((2,4-diamino-5-methylphenyl)imino)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (9CI)

Registry Numbers

CAS Registry Number

  • 97-26-7

FDA UNII

  • HQE5440EAM

System Generated Number

  • 0000097267

Molecular Formulas

Molecular Formula

  • C15-H19-N4.Cl

Molecular Formula Fragments

  • C15-H19-N4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N4.ClH/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3;/h4-9H,1-3H3,(H3,16,17);1H

InChIKey

SRAVWPVICTXESG-UHFFFAOYSA-N

Smiles

[N+](=C1\C=CC(=N/c2c(cc(c(c2)C)N)N)\C=C1)(\C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04800,
rat LDLo intraperitoneal 140mg/kg (140mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 204, Pg. 288, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.890 (none)   EST
Atmospheric OH Rate Constant 3.15E-10 cm3/molecule-sec 25 EST

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