4,4,4-Trifluoro-2-(3-Methoxyphenyl)-3-Oxobutanenitrile
[CAS# 22102-04-1]

Identification

• Name: 4,4,4-Trifluoro-2-(3-Methoxyphenyl)-3-Oxobutanenitrile
• Synonyms: 4,4,4-Trifluor-2-(3-methoxyphenyl)-3-oxobutannitril; 4,4,4-Trifluoro-2-(3-methoxyphenyl)-3-oxobutanenitrile; 4,4,4-Trifluoro-2-(3-méthoxyphényl)-3-oxobutanenitrile
• Molecular Formula: C₁₁H₈F₃NO₂
• Molecular Weight: 243.18
• CAS Registry Number: 22102-04-1
• SMILES: COc1cccc(c1)C(C#N)C(=O)C(F)(F)F
• InChI: 1S/C11H8F3NO2/c1-17-8-4-2-3-7(5-8)9(6-15)10(16)11(12,13)14/h2-5,9H,1H3
• InChIKey: INXIMSMWCSXXNW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 266.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 115.1±27.3°C (Cal.)
• Refractive index: 1.47 (Cal.)