Chem
J-GLOBAL ID：200907036598949047   Nikkaji number：J134.825F

3,3′-Dinitrobenzalacetone

3,3′-ジニトロベンザルアセトン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H12[N+]2O3[O-]2
Molecular formula furigana： C17-H12-N2-O5
Molecular weight： 324.292
InChI： InChI=1S/C17H12N2O5/c20-17(9-7-13-3-1-5-15(11-13)18(21)22)10-8-14-4-2-6-16(12-14)19(23)24/h1-12H
InChI key： ZPQURSDVJWZXLQ-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cccc(C=CC(=O)C=Cc2cccc(c2)[N+](=O)[O-])c1
Systematic name  (5)：
  • ビス[2-(3-ニトロフェニル)エテニル]ケトン
  • 1,5-ビス(3-ニトロフェニル)-1,4-ペンタジエン-3-オン
  • ビス(3-ニトロスチリル)ケトン
  • 1,5-ビス(3-ニトロフェニル)ペンタ-1,4-ジエン-3-オン
  • 1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one
Other name (5)：
  • 3,3′-ジニトロベンザルアセトン
  • 3,3′-Dinitrobenzalacetone
  • 1,5-Bis(3-nitrophenyl)-1,4-pentadien-3-one
  • Bis[2-(3-nitrophenyl)ethenyl] ketone
  • Bis(3-nitrostyryl) ketone
CAS registry number： 621-21-6
Regulation number (1)：
  • EINECS2106729
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