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Substance Name: Acetic acid, 2,2-dichloro-, methyl ester
RN: 116-54-1
InChIKey: HKMLRUAPIDAGIE-UHFFFAOYSA-N

Molecular Formula

  • C3-H4-Cl2-O2

Molecular Weight

  • 142.969
 
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Names and Synonyms

Synonyms

  • AI3-18187
  • CCRIS 7740
  • Dichloroacetic acid methyl ester
  • EINECS 204-146-8
  • Methyl 2,2-dichloroacetate
  • Methyl dichloroacetate
  • NSC 2882

Systematic Names

  • Acetic acid, 2,2-dichloro-, methyl ester
  • Acetic acid, dichloro-, methyl ester
  • Dichloroacetic acid methyl ester
  • Methyl dichloroacetate

Superlist Names

  • Methyl dichloroacetate [UN2299] [Poison]
  • UN2299

Registry Numbers

CAS Registry Number

  • 116-54-1

System Generated Number

  • 0000116541

Structure Descriptors

InChI

1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3

InChIKey

HKMLRUAPIDAGIE-UHFFFAOYSA-N

Smiles

C(C(Cl)Cl)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 2000ppm/30M (2000ppm) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 19, Pg. 1, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.19E+01 deg C   EXP
Boiling Point 142.9 deg C   EXP
log P (octanol-water) 0.810 (none)   EST
Water Solubility 1.66E+04 mg/L 25 EST
Vapor Pressure 4.5 mm Hg 25 EXP
Henry's Law Constant 2.18E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.96E-13 cm3/molecule-sec 25 EST

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