3-Oxo-3-[3-(trifluoromethoxy)phenyl]propanenitrile
[CAS# 677713-02-9]

Identification

• Name: 3-Oxo-3-[3-(trifluoromethoxy)phenyl]propanenitrile
• Synonyms: 3-(Trifluoromethoxy)benzoylacetonitrile; 3-oxo-3-[3-(trifluoromethoxy)phenyl]propanenitrile; MFCD08458118
• Molecular Formula: C₁₀H₆F₃NO₂
• Molecular Weight: 229.15
• CAS Registry Number: 677713-02-9
• SMILES: c1cc(cc(c1)OC(F)(F)F)C(=O)CC#N
• InChI: 1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2
• InChIKey: KPMFINNCXQBIPM-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 287.089°C at 760 mmHg (Cal.)
• Flash point: 127.427°C (Cal.)
• Refractive index: 1.472 (Cal.)