1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, 98%

cas: 230615-59-5 — see every product listed under this CAS number, including other names

1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, 98% (CAS 230615-59-5) is a chemical reagent available from Chemat. Available pack sizes: 5g, 10g, 25g, 50g, 100g, 500g. Offered by: Fluorochem.

• 2D
• 3D

1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone (CAS 230615-59-5) is a chemical compound with the molecular formula C13H10F3N3O5 and a molecular weight of 345.23 g/mol. IUPAC name: 1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone. InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N.

Identity

Molecular formula	C13H10F3N3O5
Molecular weight	345.23 g/mol
IUPAC name	1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
InChIKey	BDTXJBWOCIFUMR-UHFFFAOYSA-N
SMILES	C1C2CN(CC1C3=CC(=C(C=C23)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, 3-(Trifluoroacetyl)-7,8-dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepine, 7,8-Dinitro-2,3,4,5-tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, Varenicline Ortho-Dinitro, Varenicline Nitroso Impurity 4, 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.02.7]do

Isomers (same molecular formula)

1-(3,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone C₁₃H₁₀F₃N₃O₅

(6R)-2-nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine C₁₃H₁₀F₃N₃O₅

2-nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine C₁₃H₁₀F₃N₃O₅