1-(6-Nitro-1,3-benzodioxol-5-yl)ethanone

CAS Registry Number®

56136-84-6

CAS Name

1-(6-Nitro-1,3-benzodioxol-5-yl)ethanone

Molecular Formula

C9H7NO5

Molecular Mass

209.16

Cite this Page

1-(6-Nitro-1,3-benzodioxol-5-yl)ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56136-84-6 (retrieved 2024-11-24) (CAS RN: 56136-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122.5-123.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3

InChIKey

InChIKey=BQONDGIXVHVIIR-UHFFFAOYSA-N

SMILES

C(C)(=O)C1=C(N(=O)=O)C=C2C(=C1)OCO2

Canonical SMILES

O=C(C1=CC=2OCOC2C=C1N(=O)=O)C

Other Names for this Substance

  • Ethanone, 1-(6-nitro-1,3-benzodioxol-5-yl)-
  • 1-(6-Nitro-1,3-benzodioxol-5-yl)ethanone
  • 3,4-(Methylenedioxy)-6-nitroacetophenone
  • 4′,5′-Methylenedioxy-2′-nitroacetophenone
  • 1-(6-Nitro-2H-1,3-benzodioxol-5-yl)ethan-1-one

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