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Substance Name: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, methyl ester, (1R,3S)-rel-
RN: 59897-94-8
InChIKey: QJOOIMSFFIUFKX-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-Cl2-O2

Molecular Weight

  • 223.098
 
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Names and Synonyms

Synonyms

  • EINECS 261-977-9
  • trans-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, methyl ester

Systematic Names

  • Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, methyl ester, (1R,3S)-rel-
  • Methyl trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

Registry Numbers

CAS Registry Number

  • 59897-94-8

Other Registry Number

  • 61976-31-6

System Generated Number

  • 0059897948

Structure Descriptors

InChI

1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3

InChIKey

QJOOIMSFFIUFKX-UHFFFAOYSA-N

Smiles

O=C(OC)[C@@H]1C(C)(C)[C@@H]1\C=C(/Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.63 (none)   EXP
Water Solubility 26.3 mg/L 25 EST
Vapor Pressure 0.064 mm Hg 25 EST
Henry's Law Constant 1.63E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.46E-12 cm3/molecule-sec 25 EST

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