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Substance Name: 3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
RN: 70528-90-4
InChIKey: BBVOMHRLNCRXRH-VHEBQXMUSA-N

Molecular Formula

  • C15-H12-Cl-N5-O4

Molecular Weight

  • 361.744
 
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Names and Synonyms

Synonyms

  • 5-((4-Chloro-2-nitrophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
  • EC 274-660-5
  • EINECS 274-660-5

Systematic Names

  • 3-Pyridinecarbonitrile, 5-((4-chloro-2-nitrophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
  • 3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
  • 5-((4-Chloro-2-nitrophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

Registry Numbers

CAS Registry Number

  • 70528-90-4

Other Registry Number

  • 86836-02-4

System Generated Number

  • 0070528904

Structure Descriptors

InChI

1S/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,23H,3H2,1-2H3/b19-18+

InChIKey

BBVOMHRLNCRXRH-VHEBQXMUSA-N

Smiles

c1(c(c(c(=O)n(c1O)CC)C#N)C)\N=N\c1c(cc(Cl)cc1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.4 (none)   EXP
Water Solubility 0.0739 mg/L 25 EXP
Vapor Pressure 4.06E-15 mm Hg 25 EST
Henry's Law Constant 3.25E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.64E-11 cm3/molecule-sec 25 EST

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