Benzoic acid, 3-methyl-2-nitro-, methyl ester

CAS Registry Number®

5471-82-9

CAS Name

Benzoic acid, 3-methyl-2-nitro-, methyl ester

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

Benzoic acid, 3-methyl-2-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5471-82-9 (retrieved 2024-11-21) (CAS RN: 5471-82-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3

InChIKey

InChIKey=NJHDBIXFFZVJGZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methyl-2-nitro-, methyl ester
  • m-Toluic acid, 2-nitro-, methyl ester
  • Methyl 3-methyl-2-nitrobenzoate
  • NSC 28461
  • 2-Nitro-3-methylbenzoic acid methyl ester

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CAS INSIGHTSTM
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