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Substance Name: Nitron
RN: 2218-94-2
UNII: 90IM4Z883Z
InChIKey: CWGBFIRHYJNILV-UHFFFAOYSA-N

Molecular Formula

  • C20-H16-N4

Molecular Weight

  • 312.3744
 
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Names and Synonyms

Name of Substance

  • Nitron

Synonyms

  • 1,4-Diphenyl-3-(phenylamino)-1H-1,2,4-triazolium inner salt
  • EINECS 218-724-2
  • Nitron
  • Nitron (bicyclic compd.)
  • Nitron (bicyclic compound)
  • NSC 5038
  • UNII-90IM4Z883Z

Systematic Names

  • 1,4-Diphenyl-3-(phenylammonio)-1H-1,2,4-triazolium
  • 1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, hydroxide, inner salt
  • 1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt
  • 2,3,5,6-Tetraazabicyclo(2.1.1)hex-1-ene, 3,5,6-triphenyl- (8CI)(9CI)
  • 4H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt

Registry Numbers

CAS Registry Number

  • 2218-94-2

FDA UNII

  • 90IM4Z883Z

Other Registry Numbers

  • 100406-05-1
  • 100627-96-1
  • 101540-27-6
  • 12283-40-8
  • 487-88-7
  • 57176-20-2
  • 6035-01-4
  • 99784-60-8
  • 99994-22-6

System Generated Number

  • 0002218942

Structure Descriptors

InChI

1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H

InChIKey

CWGBFIRHYJNILV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)[N-]c2nn(c[n+]2c3ccccc3)c4ccccc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.160 (none)   EST
Atmospheric OH Rate Constant 3.79E-10 cm3/molecule-sec 25 EST

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