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Substance Name: Chloroacetic acid isopropyl ester
RN: 105-48-6
InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Cl-O2

Molecular Weight

  • 136.5771
 
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Names and Synonyms

Results Name

  • Chloroacetic acid isopropyl ester

Synonyms

  • AI3-39184
  • CCRIS 7748
  • Chloroacetic acid isopropyl ester
  • EINECS 203-301-7
  • Isopropyl chloroacetate
  • NSC 27789

Systematic Names

  • Acetic acid, 2-chloro-, 1-methylethyl ester
  • Acetic acid, chloro-, 1-methylethyl ester
  • Acetic acid, chloro-, isopropyl ester (8CI)
  • Chloroacetic acid isopropyl ester
  • Isopropyl chloroacetate

Superlist Names

  • Isopropyl chloroacetate [UN2947] [Flammable liquid]
  • UN2947

Registry Numbers

CAS Registry Number

  • 105-48-6

System Generated Number

  • 0000105486

Structure Descriptors

InChI

1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

InChIKey

VODRWDBLLGYRJT-UHFFFAOYSA-N

Smiles

C(OC(C)C)(CCl)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 150.5 deg C   EXP
log P (octanol-water) 1.540 (none)   EST
Water Solubility 4220 mg/L 25 EST
Henry's Law Constant 1.09E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.38E-12 cm3/molecule-sec 25 EST

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