1-(3-Fluorophenyl)-3,3-dimethyl-1-butanone
[CAS# 898764-41-5]

Identification

• Name: 1-(3-Fluorophenyl)-3,3-dimethyl-1-butanone
• Synonyms: 3,3-dimethyl-3'-fluorobutyrophenone
• Molecular Formula: C₁₂H₁₅FO
• Molecular Weight: 194.25
• CAS Registry Number: 898764-41-5
• SMILES: O=C(CC(C)(C)C)c1cc(F)ccc1
• InChI: 1S/C12H15FO/c1-12(2,3)8-11(14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3
• InChIKey: BRTSCAGWCRJTSO-UHFFFAOYSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 253.948°C at 760 mmHg (Cal.)
• Flash point: 100.604°C (Cal.)
• Refractive index: 1.484 (Cal.)