4-Methyl-3-nitrobenzoic acid

CAS Registry Number®

96-98-0

CAS Name

4-Methyl-3-nitrobenzoic acid

Molecular Formula

C8H7NO4

Molecular Mass

181.15

Cite this Page

4-Methyl-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96-98-0 (retrieved 2024-12-19) (CAS RN: 96-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

  • Density (2)

    1.479 g/cm³ (solid)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=BBEWSMNRCUXQRF-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(C(O)=O)=CC=C1C

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-methyl-3-nitro-
  • p-Toluic acid, 3-nitro-
  • 4-Methyl-3-nitrobenzoic acid
  • 3-Nitro-4-methylbenzoic acid
  • 3-Nitro-p-toluic acid

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