Dichloroacetate
[CAS# 13425-80-4]

Identification

• Name: Dichloroacetate
• Synonyms: 2,2-Dichloroethanoate; Dichloracetate; Dichloroacetate Ion
• Molecular Formula: C₂HCl₂O₂
• Molecular Weight: 127.93
• CAS Registry Number: 13425-80-4
• SMILES: O=C([O-])C(Cl)Cl
• InChI: 1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
• InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-M

Properties

• Boiling point: 193.999°C at 760 mmHg (Cal.)
• Flash point: 75.552°C (Cal.)

References

• (1): Stepan B. Lesnichin, Peter M. Tolstoy, Hans-Heinrich Limbach and Ilja G. Shenderovich. Counteranion-dependent mechanisms of intramolecular proton transfer in aprotic solution, Phys. Chem. Chem. Phys., 2010, 12, 10373.