Isopropyl Dichloroacetate
[CAS# 25006-60-4]

Identification

• Name: Isopropyl Dichloroacetate
• Synonyms: Isopropyl 2,2-Dichloroacetate; 2,2-Dichloroacetic Acid Isopropyl Ester; Propan-2-Yl 2,2-Dichloroethanoate
• Molecular Formula: C₅H₈Cl₂O₂
• Molecular Weight: 171.02
• CAS Registry Number: 25006-60-4
• EINECS: 246-561-7
• SMILES: CC(OC(C(Cl)Cl)=O)C
• InChI: 1S/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3
• InChIKey: JBTISLVNJCYZCH-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 166.846°C at 760 mmHg (Cal.)
• Flash point: 60.073°C (Cal.)