6-Bromospiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one trifluoroacetate (1:1)
[CAS# 691868-46-9]

Identification

• Name: 6-Bromospiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one trifluoroacetate (1:1)
• Synonyms: 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate; MFCD05865143; Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 6-bromo-, 2,2,2-trifluoroacetate
• Molecular Formula: C₁₄H₁₄BrF₃N₂O₄
• Molecular Weight: 411.17
• CAS Registry Number: 691868-46-9
• SMILES: FC(F)(F)C(=O)O.Brc2ccc1OC3(NC(=O)c1c2)CCNCC3
• InChI: 1S/C12H13BrN2O2.C2HF3O2/c13-8-1-2-10-9(7-8)11(16)15-12(17-10)3-5-14-6-4-12;3-2(4,5)1(6)7/h1-2,7,14H,3-6H2,(H,15,16);(H,6,7)
• InChIKey: IMEQKEMGTFSGNL-UHFFFAOYSA-N

Properties

• Boiling point: 534.8°C at 760 mmHg (Cal.)
• Flash point: 277.3°C (Cal.)
• Refractive index: (Cal.)