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Substance Name: Ioxynil [BSI:ISO]
RN: 1689-83-4
UNII: 8Y734M4V9E
InChIKey: NRXQIUSYPAHGNM-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Human Data
  • Tumor Data

Molecular Formula

  • C7-H3-I2-N-O

Molecular Weight

  • 370.9067
 
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Names and Synonyms

Results Name

  • Ioxynil [BSI:ISO]

Name of Substance

  • Bantrol
  • Ioxynil
  • Ioxynil [BSI:ISO]

Synonyms

  • 2,6-Diiodo-4-cyanophenol
  • 3,5-Diiodo-4-hydroxybenzonitrile
  • 3,5-Dijod-4-hydroxy-benzonitril
  • 3,5-Dijod-4-hydroxy-benzonitril [German]
  • 3-10-00-00373 (Beilstein Handbook Reference)
  • 4-Cyano-2,6-diiodophenol
  • 4-Cyano-2,6-dijodphenol
  • 4-Cyano-2,6-dijodphenol [German]
  • 4-Hydroxy-3,5-di-iodophenyl cyanide
  • 4-Hydroxy-3,5-diiodobenzonitrile
  • ACP 63303
  • Actril
  • Actrilawn
  • Bentrol
  • Benzonitrile, 3,5-diiodo-4-hydroxy-
  • Benzonitrile, 4-hydroxy-3,5-diiodo-
  • BRN 2364041
  • CA 69-15
  • Caswell No. 353A
  • Certrol
  • Cipotril
  • EINECS 216-881-1
  • EPA Pesticide Chemical Code 353200
  • HSDB 1584
  • Iotox
  • Ioxynil
  • Joxynil
  • Loxynil
  • Loxynil [German]
  • M&B 8873
  • Totril
  • Trevespan
  • UNII-8Y734M4V9E

Systematic Names

  • 4-Hydroxy-3,5-diiodobenzonitrile
  • Benzonitrile, 3,5-diiodo-4-hydroxy-
  • Benzonitrile, 4-hydroxy-3,5-diiodo-
  • Ioxynil

Superlist Name

  • Ioxynil

Registry Numbers

CAS Registry Number

  • 1689-83-4

FDA UNII

  • 8Y734M4V9E

Related Registry Number

  • 2961-62-8 (hydrochloride salt)

System Generated Number

  • 0001689834

Structure Descriptors

InChI

1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

InChIKey

NRXQIUSYPAHGNM-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)I)I)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Pesticide Manual. Vol. 9, Pg. 496, 1991.
cat LD50 oral 75mg/kg (75mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 93, 1971.
chicken LD50 oral 200mg/kg (200mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 93, 1971.
guinea pig LD50 oral 76mg/kg (76mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 93, 1971.
human LDLo oral 28mg/kg (28mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: HEMORRHAGE
Archives of Toxicology. Vol. 37, Pg. 241, 1977.
mammal (species unspecified) LD50 unreported 120mg/kg (120mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 149, 1971.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02818,
mouse LD50 oral 230mg/kg (230mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 93, 1971.
mouse LD50 unreported 230ug/kg (0.23mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 304, 1973.
rabbit LD50 oral 180mg/kg (180mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 93, 1971.
rabbit LD50 unreported 180ug/kg (0.18mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 304, 1973.
rat LC50 inhalation 380mg/m3/4H (380mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: FOOD INTAKE (ANIMAL)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0555727,
rat LD50 oral 110mg/kg (110mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LDLo skin 210ug/kg (0.21mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 304, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 212.5 deg C   EXP
pKa Dissociation Constant 3.96 (none) 25 EXP
log P (octanol-water) 3.43 (none)   EXP
Water Solubility 50 mg/L 25 EXP
Vapor Pressure 1.38E-07 mm Hg 25 EST
Henry's Law Constant 5.48E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.16E-13 cm3/molecule-sec 25 EST

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