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Substance Name: 4-Pyridinecarboxaldehyde
RN: 872-85-5
InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O

Molecular Weight

  • 107.112
 
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Names and Synonyms

Synonyms

  • 4-Formylpyridine
  • 4-Pyridinealdehyde
  • 4-Pyridylaldehyde
  • AI3-33232
  • EC 212-832-3
  • EINECS 212-832-3
  • Isonicotinic aldehyde
  • NSC 8953
  • p-Pyridinealdehyde
  • Pyridine-4-carbaldehyde

Systematic Names

  • 4-Pyridinecarboxaldehyde
  • Isonicotinaldehyde

Registry Numbers

CAS Registry Number

  • 872-85-5

Other Registry Number

  • 942039-01-2

System Generated Number

  • 0000872855

Structure Descriptors

InChI

1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H

InChIKey

BGUWFUQJCDRPTL-UHFFFAOYSA-N

Smiles

c1(ccncc1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1600mg/kg (1600mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.77 (none) 20 EXP
log P (octanol-water) 0.43 (none)   EXP
Water Solubility 4.77E+04 mg/L 25 EST
Vapor Pressure 0.568 mm Hg 25 EST
Henry's Law Constant 1.77E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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