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Substance Name: Ethyl chloroacetate
RN: 105-39-5
UNII: 6H07TEH4TF
InChIKey: VEUUMBGHMNQHGO-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C4-H7-Cl-O2

Molecular Weight

  • 122.5503
 
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Names and Synonyms

Name of Substance

  • Ethyl chloroacetate
  • Ethyl monochloroacetate

Synonyms

  • 4-02-00-00481 (Beilstein Handbook Reference)
  • Acetic acid, chloro-, ethyl ester
  • AI3-19743
  • BRN 0506455
  • CCRIS 7747
  • Chloroacetic acid, ethyl ester
  • EC 203-294-0
  • EINECS 203-294-0
  • Ethyl alpha-chloroacetate
  • Ethyl chloracetate
  • Ethyl chloroacetate
  • Ethyl chloroethanoate
  • Ethyl monochloracetate
  • Ethyl monochloroacetate
  • Ethylester kyseliny chloroctove
  • Ethylester kyseliny chloroctove [Czech]
  • HSDB 408
  • NSC 8833
  • UNII-6H07TEH4TF

Systematic Names

  • Acetic acid, 2-chloro-, ethyl ester
  • Acetic acid, chloro-, ethyl ester
  • Chloroacetic acid ethyl ester
  • Ethyl chloroacetate

Superlist Names

  • Acetic acid, chloro-, ethyl ester
  • Ethyl chloroacetate
  • Ethyl chloroacetate [UN1181] [Poison]
  • UN1181

Registry Numbers

CAS Registry Number

  • 105-39-5

FDA UNII

  • 6H07TEH4TF

System Generated Number

  • 0000105395

Structure Descriptors

InChI

1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey

VEUUMBGHMNQHGO-UHFFFAOYSA-N

Smiles

C(=O)(OCC)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.
mouse LD50 subcutaneous 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
rabbit LD50 skin 230mg/kg (230mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 3330uL/m3/4H (3.33mL/m3) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.
rat LD50 oral 180mg/kg (180mg/kg) BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.
rat LD50 skin 161mg/kg (161mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.10E+01 deg C   EXP
Boiling Point 144.3 deg C   EXP
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 1.94E+04 mg/L 30 EXP
Vapor Pressure 4.87 mm Hg 25 EXP
Henry's Law Constant 4.06E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-12 cm3/molecule-sec 25 EST

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