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Substance Name: Isophthalonitrile, 5-(3,3-dimethyl-1-triazeno)-
RN: 66974-82-1
InChIKey: VAPRWCSWLYNLDR-BUHFOSPRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H9-N5

Molecular Weight

  • 199.216
 
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Names and Synonyms

Synonyms

  • 1,3-Benzenedicarbonitrile, 5-(3,3-dimethyl-1-triazenyl)-
  • 5-(3,3-Dimethyl-1-triazeno)isophthalonitrile
  • BRN 1819457

Systematic Name

  • Isophthalonitrile, 5-(3,3-dimethyl-1-triazeno)-

Registry Numbers

CAS Registry Number

  • 66974-82-1

System Generated Number

  • 0066974821

Structure Descriptors

InChI

1S/C10H9N5/c1-15(2)14-13-10-4-8(6-11)3-9(5-10)7-12/h3-5H,1-2H3/b14-13+

InChIKey

VAPRWCSWLYNLDR-BUHFOSPRSA-N

Smiles

c1(cc(cc(c1)C#N)C#N)\N=N\N(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 330 mg/L 25 EST
Vapor Pressure 2.86E-05 mm Hg 25 EST
Henry's Law Constant 5.01E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-12 cm3/molecule-sec 25 EST

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