Methyl 2-cyano-3-nitrobenzoate

CAS Registry Number®

77326-46-6
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CAS Name

Methyl 2-cyano-3-nitrobenzoate

Molecular Formula

C9H6N2O4

Molecular Mass

206.15

Cite this Page

Methyl 2-cyano-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77326-46-6 (retrieved 2024-09-16) (CAS RN: 77326-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-142 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,1H3

InChIKey

InChIKey=IKKNSRWBYKCBBC-UHFFFAOYSA-N

SMILES

C(#N)C1=C(C(OC)=O)C=CC=C1N(=O)=O

Canonical SMILES

N#CC=1C(=CC=CC1N(=O)=O)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 2-cyano-3-nitro-, methyl ester
  • Methyl 2-cyano-3-nitrobenzoate
  • 2-Carbomethoxy-6-nitrobenzonitrile