6-Nitro-1,3-benzodioxole

CAS Registry Number®

2620-44-2

CAS Name

6-Nitro-1,3-benzodioxole

Molecular Formula

C7H5NO4

Molecular Mass

167.12

Cite this Page

6-Nitro-1,3-benzodioxole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2620-44-2 (retrieved 2024-12-19) (CAS RN: 2620-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

InChIKey

InChIKey=SNWQAKNKGGOVMO-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=N(=O)C1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole, 5-nitro-
  • Benzene, 1,2-(methylenedioxy)-4-nitro-
  • 5-Nitro-1,3-benzodioxole
  • 3,4-(Methylenedioxy)-1-nitrobenzene
  • 5-Nitrobenzodioxole

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