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Substance Name: Dipropyl isocinchomeronate
RN: 136-45-8
UNII: O572Q51ABJ
InChIKey: IITCWRFYJWUUPC-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant

Molecular Formula

  • C13-H17-N-O4

Molecular Weight

  • 251.28
 
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Names and Synonyms

Name of Substance

  • Dipropyl isocinchomeronate

Synonyms

  • 4-22-00-01633 (Beilstein Handbook Reference)
  • AI3-17591
  • BRN 0229600
  • Caswell No. 400
  • Di-n-propyl 2,5-pyridinedicarboxylate
  • Di-n-propyl isocinchomeronate
  • Di-n-propyl-isocinchomeronate
  • Di-n-propyl-isocinchomeronate [German]
  • Di-propylisocinchomeronate
  • Dipropyl 2,5-pyridinedicarboxylate
  • Dipropyl isocinchomeronate
  • Dipropylester kyseliny pyridin-2,5-dikarboxylove
  • Dipropylester kyseliny pyridin-2,5-dikarboxylove [Czech]
  • EINECS 205-245-9
  • ENT 17595
  • EPA Pesticide Chemical Code 047201
  • HSDB 6947
  • Isocinchomeronic acid, dipropyl ester
  • MGK 326
  • MGK R-326
  • MGK repellent 326
  • MGK Repellent 326 (VAN)
  • NSC 22364
  • Pyridin-2,5-dicarbonsaeure-di-n-propylester
  • Pyridin-2,5-dicarbonsaeure-di-n-propylester [German]
  • R-326
  • Repper 333
  • UNII-O572Q51ABJ

Systematic Names

  • 2,5-Pyridinedicarboxylic acid, dipropyl ester
  • Dipropyl pyridine-2,5-dicarboxylate

Superlist Names

  • Di-n-propyl isocinchomeronate
  • Dipropyl isocinchomeronate

Registry Numbers

CAS Registry Number

  • 136-45-8

FDA UNII

  • O572Q51ABJ

Other Registry Number

  • 114308-72-4

System Generated Number

  • 0000136458

Structure Descriptors

InChI

InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3

InChIKey

IITCWRFYJWUUPC-UHFFFAOYSA-N

Smiles

CCCOC(=O)c1ccc(nc1)C(=O)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 605, 1981.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 605, 1981.
rabbit LD50 skin 9500mg/kg (9500mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LD50 oral 5230mg/kg (5230mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 94, 1976.
rat LD50 skin 9400mg/kg (9400mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 94, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.57 (none)   EXP
Water Solubility 20.8 mg/L 25 EST
Vapor Pressure 5.48E-04 mm Hg 25 EST
Henry's Law Constant 9.09E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.34E-12 cm3/molecule-sec 25 EST

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