6-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)acetyl-3-methylbenzoxazolinone
[CAS# 82608-05-7]

Identification

• Name: 6-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)acetyl-3-methylbenzoxazolinone
• Synonyms: 3-Methyl-6-[1-Oxo-2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]Ethyl]-1,3-Benzoxazol-2-One; 3-Methyl-6-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Ethanoyl]-1,3-Benzoxazol-2-One; 2(3H)-Benzoxalzolone, 3-Methyl-6-((4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Acetyl)-
• Molecular Formula: C₂₁H₂₀F₃N₃O₃
• Molecular Weight: 419.40
• CAS Registry Number: 82608-05-7
• SMILES: C1=CC(=CC2=C1N(C)C(O2)=O)C(=O)CN3CCN(CC3)C4=CC(=CC=C4)C(F)(F)F
• InChI: 1S/C21H20F3N3O3/c1-25-17-6-5-14(11-19(17)30-20(25)29)18(28)13-26-7-9-27(10-8-26)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-12H,7-10,13H2,1H3
• InChIKey: XERIIBQQYDXGKO-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 552.622°C at 760 mmHg (Cal.)
• Flash point: 288.015°C (Cal.)