N-{Bis[3,5-bis(trifluoromethyl)phenyl]methyl}-3-bromobutanamide
[CAS# 680579-72-0]

Identification

• Name: N-{Bis[3,5-bis(trifluoromethyl)phenyl]methyl}-3-bromobutanamide
• Synonyms: N1-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]METHYL-3-BROMOBUTANAMIDE
• Molecular Formula: C₂₁H₁₄BrF₁₂NO
• Molecular Weight: 604.23
• CAS Registry Number: 680579-72-0
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)NC(=O)CC(Br)C
• InChI: 1S/C21H14BrF12NO/c1-9(22)2-16(36)35-17(10-3-12(18(23,24)25)7-13(4-10)19(26,27)28)11-5-14(20(29,30)31)8-15(6-11)21(32,33)34/h3-9,17H,2H2,1H3,(H,35,36)
• InChIKey: XGNJPEGIXLDMAQ-UHFFFAOYSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 434.118°C at 760 mmHg (Cal.)
• Flash point: 216.347°C (Cal.)
• Refractive index: 1.454 (Cal.)