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Substance Name: Ioxynil octanoate [BSI:ISO]
RN: 3861-47-0
UNII: 75K1F1JBKR
InChIKey: QBEXFUOWUYCXNI-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Mutation Data

Molecular Formula

  • C15-H17-I2-N-O2

Molecular Weight

  • 497.104
 
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Names and Synonyms

Name of Substance

  • Ioxynil octanoate [BSI:ISO]

Synonyms

  • 3,5-Diiodo-4-hydroxybenzonitrile octanoate
  • 3,5-Diiodo-4-octanoyloxybenzonitrile
  • 3,5-Dijod-4-hydroxy-benzonitril caprysaeureester
  • 3,5-Dijod-4-hydroxy-benzonitril caprysaeureester [German]
  • 4-Cyano-2,6-dijodphenol caprysaeureester
  • 4-Cyano-2,6-dijodphenol caprysaeureester [German]
  • Benzonitrile, 3,5-diiodo-4-hydroxy-, octanoate
  • Benzonitrile, 3,5-diiodo-4-octanoyloxy-
  • BRN 2756640
  • EINECS 223-375-4
  • Ioxynil octanoate
  • M&B 11,461
  • Octanoic acid, ester with 4-hydroxy-3,5-diiodobenzonitrile
  • RIP-15830
  • Totril
  • UNII-75K1F1JBKR

Systematic Names

  • 4-Cyano-2,6-diiodophenyl octanoate
  • Octanoic acid, (4-cyano-2,6-diiodo)phenyl ester
  • Octanoic acid, 4-cyano-2,6-diiodophenyl ester

Registry Numbers

CAS Registry Number

  • 3861-47-0

FDA UNII

  • 75K1F1JBKR

System Generated Number

  • 0003861470

Structure Descriptors

InChI

1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

InChIKey

QBEXFUOWUYCXNI-UHFFFAOYSA-N

Smiles

c1(c(cc(C#N)cc1I)I)OC(CCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 9, Pg. 496, 1991.
mouse LD50 oral 205mg/kg (205mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 78, 1967.
mouse LD50 skin 1240mg/kg (1240mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 78, 1967.
rat LC50 inhalation > 2400mg/m3 (2400mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 349, 1991.
rat LD50 oral 190mg/kg (190mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 305, 1973.
rat LD50 skin 500mg/kg (500mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A233, Pg. 1983,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 59.5 deg C   EXP
log P (octanol-water) 6.420 (none)   EST
Atmospheric OH Rate Constant 7.41E-12 cm3/molecule-sec 25 EST

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