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Substance Name: Isopropyl dichloroacetate
RN: 25006-60-4
InChIKey: JBTISLVNJCYZCH-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-Cl2-O2

Molecular Weight

  • 171.022
 
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Names and Synonyms

Synonym

  • EINECS 246-561-7

Systematic Name

  • Isopropyl dichloroacetate

Registry Numbers

CAS Registry Number

  • 25006-60-4

System Generated Number

  • 0025006604

Structure Descriptors

InChI

1S/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3

InChIKey

JBTISLVNJCYZCH-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 163.5 deg C   EXP
log P (octanol-water) 1.720 (none)   EST
Atmospheric OH Rate Constant 1.97E-12 cm3/molecule-sec 25 EST

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