Methyl 6-nitro-1,3-benzodioxole-5-carboxylate

CAS Registry Number®

721-00-6

CAS Name

Methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Molecular Formula

C9H7NO6

Molecular Mass

225.15

Cite this Page

Methyl 6-nitro-1,3-benzodioxole-5-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=721-00-6 (retrieved 2024-11-22) (CAS RN: 721-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO6/c1-14-9(11)5-2-7-8(16-4-15-7)3-6(5)10(12)13/h2-3H,4H2,1H3

InChIKey

InChIKey=OYWDFLIPTKVKKY-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C=C2C(=CC1N(=O)=O)OCO2

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzodioxole-5-carboxylic acid, 6-nitro-, methyl ester
  • Piperonylic acid, 6-nitro-, methyl ester
  • Methyl 6-nitro-1,3-benzodioxole-5-carboxylate
  • NSC 59448

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