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Substance Name: Ethyl isonicotinate
RN: 1570-45-2
InChIKey: MCRPKBUFXAKDKI-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Name of Substance

  • Ethyl isonicotinate

Synonyms

  • 4-Carbethoxypyridine
  • 4-Carboethoxypyridine
  • 4-Pyridinecarboxylic acid, ethyl ester
  • 5-22-02-00190 (Beilstein Handbook Reference)
  • AI3-22194
  • BRN 0122942
  • EC 216-379-2
  • EINECS 216-379-2
  • Ethyl 4-pyridinecarboxylate
  • Ethyl isonicotinate
  • gamma-Pyridinecarboxylic acid ethyl ester
  • Isonicotinic acid ethyl ester
  • NSC 6854

Systematic Names

  • 4-Pyridinecarboxylic acid, ethyl ester
  • Ethyl isonicotinate
  • Isonicotinic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 1570-45-2

System Generated Number

  • 0001570452

Structure Descriptors

InChI

1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

InChIKey

MCRPKBUFXAKDKI-UHFFFAOYSA-N

Smiles

c1(C(OCC)=O)ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03434,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 23 deg C   EXP
Boiling Point 219.5 deg C   EXP
pKa Dissociation Constant 3.45 (none) 20 EXP
log P (octanol-water) 1.43 (none)   EXP
Water Solubility 4510 mg/L 25 EST
Vapor Pressure 0.084 mm Hg 25 EST
Henry's Law Constant 6.03E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

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