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Substance Name: Ethyl iodoacetate
RN: 623-48-3
InChIKey: MFFXVVHUKRKXCI-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-I-O2

Molecular Weight

  • 213.997
 
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Names and Synonyms

Name of Substance

  • Ethyl iodoacetate

Synonyms

  • 4-02-00-00535 (Beilstein Handbook Reference)
  • BRN 0741934
  • EINECS 210-796-3
  • Ethyl iodoacetate
  • Ethyl monoiodoacetate
  • Ethylester kyseliny jodoctove
  • Ethylester kyseliny jodoctove [Czech]
  • Iodoacetic acid, ethyl ester
  • NSC 58809
  • S 9

Systematic Names

  • Acetic acid, 2-iodo-, ethyl ester
  • Acetic acid, iodo-, ethyl ester
  • Ethyl iodoacetate

Registry Numbers

CAS Registry Number

  • 623-48-3

System Generated Number

  • 0000623483

Structure Descriptors

InChI

1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey

MFFXVVHUKRKXCI-UHFFFAOYSA-N

Smiles

C(OCC)(CI)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC
Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.
mouse LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. 0TS0570989,
rat LD50 intraperitoneal 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. 0TS0570989,
rat LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. 0TS0570989,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) 1.620 (none)   EST
Water Solubility 1520 mg/L 25 EST
Henry's Law Constant 1.74E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-12 cm3/molecule-sec 25 EST

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