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Substance Name: Iodoacetic acid
RN: 64-69-7
UNII: WF5188V710
InChIKey: JDNTWHVOXJZDSN-UHFFFAOYSA-N

Note

  • A derivative of ACETIC ACID that contains one IODINE atom attached to its methyl group.

Molecular Formula

  • C2-H3-I-O2

Molecular Weight

  • 185.9437
 

Classification Codes

  • Enzyme Inhibitors
  • Mutation Data
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Iodoacetic acid

MeSH Heading

  • Iodoacetic acid

Synonyms

  • 4-02-00-00534 (Beilstein Handbook Reference)
  • Acetic acid, iodo-
  • AI3-52119
  • BRN 1739079
  • CCRIS 667
  • EINECS 200-590-1
  • HSDB 4008
  • IA
  • Iodoacetate
  • Iodoacetic acid
  • Kyselina jodoctova
  • Kyselina jodoctova [Czech]
  • MIA
  • Monoiodine acetate
  • Monoiodoacetate
  • Monoiodoacetic acid
  • NSC 2125
  • UNII-WF5188V710

Systematic Names

  • Acetic acid, 2-iodo-
  • Acetic acid, iodo-
  • Iodoacetic acid

Registry Numbers

CAS Registry Number

  • 64-69-7

FDA UNII

  • WF5188V710

System Generated Number

  • 0000064697

Structure Descriptors

InChI

1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

JDNTWHVOXJZDSN-UHFFFAOYSA-N

Smiles

C(=O)(CI)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 45mg/kg (45mg/kg)   Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.
dog LD50 intravenous 45mg/kg (45mg/kg)   Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.
dog LD50 intravenous 45mg/kg (45mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.
guinea pig LD50 skin 125mg/kg (125mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0571891,
rabbit LDLo subcutaneous 60mg/kg (60mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: REGIDITY
Journal of Physiology. Vol. 80, Pg. 360, 1934.
rat LCLo inhalation 94gm/m3/30M (94000mg/m3)   Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.
rat LD parenteral > 4uL/kg (0.004mL/kg)   Journal of Neurochemistry. Vol. 69, Pg. 285, 1997.
rat LD parenteral > 4uL/kg (0.004mL/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Journal of Neurochemistry. Vol. 69, Pg. 285, 1997.
rat LD50 intraperitoneal 75mg/kg (75mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.
rat LD50 subcutaneous 60mg/kg (60mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: REGIDITY

BEHAVIORAL: FLUID INTAKE
Toxicology and Applied Pharmacology. Vol. 26, Pg. 93, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82.5 deg C   EXP
pKa Dissociation Constant 3.15 (none)   EXP
log P (octanol-water) 0.850 (none)   EST
Atmospheric OH Rate Constant 8.91E-13 cm3/molecule-sec 25 EST

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