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Substance Name: Methyl chloroacetate
RN: 96-34-4
UNII: 450VSB182I
InChIKey: QABLOFMHHSOFRJ-UHFFFAOYSA-N

Molecular Formula

  • C3-H5-Cl-O2

Molecular Weight

  • 108.5235
 
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Names and Synonyms

Name of Substance

  • Methyl chloroacetate

Synonyms

  • Acetic acid, chloro-, methyl ester
  • AI3-39185
  • CCRIS 7749
  • Chloroacetic acid methyl ester
  • EC 202-501-1
  • EINECS 202-501-1
  • HSDB 5303
  • Methyl alpha-chloroacetate
  • Methyl chloroethanoate
  • Methyl monochloracetate
  • Methyl monochloroacetate
  • Methylester kyseliny chloroctove
  • Methylester kyseliny chloroctove [Czech]
  • Monochloroacetic acid methyl ester
  • NSC 2635
  • UNII-450VSB182I

Systematic Names

  • Acetic acid, 2-chloro-, methyl ester
  • Acetic acid, chloro-, methyl ester
  • Chloroacetic acid methyl ester
  • Methyl chloroacetate

Superlist Names

  • Acetic acid, chloro-, methyl ester
  • Methyl chloroacetate
  • Methyl chloroacetate [UN2295] [Poison]
  • UN2295

Registry Numbers

CAS Registry Number

  • 96-34-4

FDA UNII

  • 450VSB182I

System Generated Number

  • 0000096344

Structure Descriptors

InChI

1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3

InChIKey

QABLOFMHHSOFRJ-UHFFFAOYSA-N

Smiles

C(=O)(CCl)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 240mg/kg (240mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LC50 inhalation 1gm/m3/2H (1000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
mouse LD50 oral 240mg/kg (240mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
rat LCLo inhalation 250ppm/7H (250ppm) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 19, Pg. 1, 1971.
rat LD16 subcutaneous 560mg/kg (560mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.21E+01 deg C   EXP
Boiling Point 129.5 deg C   EXP
log P (octanol-water) 0.630 (none)   EST
Water Solubility 4.60E+04 mg/L 25 EXP
Vapor Pressure 7.63 mm Hg 25 EXP
Henry's Law Constant 2.37E-05 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.