2,5-Dimethyl-4-nitrobenzoic acid

CAS Registry Number®

6954-70-7
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CAS Name

2,5-Dimethyl-4-nitrobenzoic acid

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

2,5-Dimethyl-4-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6954-70-7 (retrieved 2024-09-10) (CAS RN: 6954-70-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166.5 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WQJLIVQRJOLTMH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C(=CC1C)N(=O)=O)C

Other Names for this Substance

  • Benzoic acid, 2,5-dimethyl-4-nitro-
  • 2,5-Dimethyl-4-nitrobenzoic acid
  • NSC 67713