3-Phenylpropyl 2,2,2-Trichloroacetate
[CAS# 78987-68-5]

Identification

• Name: 3-Phenylpropyl 2,2,2-Trichloroacetate
• Synonyms: 2,2,2-Trichloroacetic Acid 3-Phenylpropyl Ester; 3-Phenylpropyl 2,2,2-Trichloroethanoate; Nsc6019
• Molecular Formula: C₁₁H₁₁Cl₃O₂
• Molecular Weight: 281.57
• CAS Registry Number: 78987-68-5
• SMILES: C1=CC=CC=C1CCCOC(C(Cl)(Cl)Cl)=O
• InChI: 1S/C11H11Cl3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: SYGLRTZHJMHHSD-UHFFFAOYSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 337.825°C at 760 mmHg (Cal.)
• Flash point: 131.904°C (Cal.)