3-(5-Bromo-2-methoxyphenyl)-1,1,1-trifluoroacetone
[CAS# 898787-45-6]

Identification

• Name: 3-(5-Bromo-2-methoxyphenyl)-1,1,1-trifluoroacetone
• Synonyms: 3-(5-Bromo-2-methoxyphenyl)-1,1,1-trifluoro-2-propanone; MFCD07700129
• Molecular Formula: C₁₀H₈BrF₃O₂
• Molecular Weight: 297.07
• CAS Registry Number: 898787-45-6
• SMILES: COc1ccc(Br)cc1CC(=O)C(F)(F)F
• InChI: 1S/C10H8BrF3O2/c1-16-8-3-2-7(11)4-6(8)5-9(15)10(12,13)14/h2-4H,5H2,1H3
• InChIKey: MEFOYWRMMBBLJP-UHFFFAOYSA-N

Properties

• Density: 1.544g/cm³ (Cal.)
• Boiling point: 282.452°C at 760 mmHg (Cal.)
• Flash point: 124.623°C (Cal.)
• Refractive index: 1.486 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE