[(E)-1,1,1-Trifluoro-4-Oxo-4-Phenylbut-2-En-2-Yl] 4-Methylsulfanylbenzoate
[CAS# 149172-66-7]

Identification

• Name: [(E)-1,1,1-Trifluoro-4-Oxo-4-Phenylbut-2-En-2-Yl] 4-Methylsulfanylbenzoate
• Synonyms: [(E)-3-Oxo-3-Phenyl-1-(Trifluoromethyl)Prop-1-Enyl] 4-Methylsulfanylbenzoate; 4-(Methylthio)Benzoic Acid [(E)-3-Oxo-3-Phenyl-1-(Trifluoromethyl)Prop-1-Enyl] Ester; 4-(Methylthio)Benzoic Acid [(E)-3-Keto-3-Phenyl-1-(Trifluoromethyl)Prop-1-Enyl] Ester
• Molecular Formula: C₁₈H₁₃F₃O₃S
• Molecular Weight: 366.35
• CAS Registry Number: 149172-66-7
• SMILES: C2=C(C(O\C(C(F)(F)F)=C\C(=O)C1=CC=CC=C1)=O)C=CC(=C2)SC
• InChI: 1S/C18H13F3O3S/c1-25-14-9-7-13(8-10-14)17(23)24-16(18(19,20)21)11-15(22)12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
• InChIKey: FYOXXDMISXLCKD-LFIBNONCSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 465.959°C at 760 mmHg (Cal.)
• Flash point: 235.604°C (Cal.)