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Substance Name: Triazoxide [ISO]
RN: 72459-58-6
UNII: 1C2N58DT4P
InChIKey: IQGKIPDJXCAMSM-UHFFFAOYSA-N

Molecular Formula

  • C10-H6-Cl-N5-O

Molecular Weight

  • 247.644
 
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Names and Synonyms

Name of Substance

  • Triazoxide [ISO]

Synonyms

  • EINECS 276-668-4
  • Triazoxide
  • UNII-1C2N58DT4P

Systematic Names

  • 1,2,4-Benzotriazine, 7-chloro-3-(1H-imidazol-1-yl)-, 1-oxide
  • 7-Chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide

Registry Numbers

CAS Registry Number

  • 72459-58-6

FDA UNII

  • 1C2N58DT4P

System Generated Number

  • 0072459586

Structure Descriptors

InChI

InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H

InChIKey

IQGKIPDJXCAMSM-UHFFFAOYSA-N

Smiles

Clc1ccc2nc(nn(=O)c2c1)n3ccnc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 182 deg C   EXP
log P (octanol-water) 2.04 (none)   EXP
Water Solubility 34 mg/L 20 EXP
Vapor Pressure 2.25E-09 mm Hg 25 EXP
Henry's Law Constant 2.16E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.65E-11 cm3/molecule-sec 25 EST

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