1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone , 98% , 230615-59-5

CAS NO.：230615-59-5

Empirical Formula: C13H10F3N3O5

Molecular Weight: 345.23

MDL number: MFCD10566032

PRODUCT Properties

• Melting point: 175-177°C
• Boiling point: 520.4±50.0 °C(Predicted)
• Density: 1.604
• storage temp.: 2-8°C
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: -1.93±0.20(Predicted)
• color: White to Light Yellow
• InChI: InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2
• InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N
• SMILES: C(=O)(N1CC2CC(C3=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C32)C1)C(F)(F)F

Description and Uses

2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine is an intermediate in the preparation of nicotinic receptor ligand analogs.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338