Cas no 23876-18-8 (2-(2-Methyl-6-nitrophenyl)acetic acid)

2-(2-Methyl-6-nitrophenyl)acetic acid is a nitrophenyl-substituted acetic acid derivative with the molecular formula C9H9NO4. This compound features a methyl group at the ortho position relative to the nitrophenyl moiety, which enhances its steric and electronic properties. The presence of both the carboxylic acid and nitro functional groups makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its structural characteristics facilitate selective reactions, such as nucleophilic substitutions or reductions, due to the electron-withdrawing effect of the nitro group. The compound is valued for its stability under standard conditions and its compatibility with a range of synthetic methodologies. It is commonly used in research and industrial applications requiring precise functional group manipulation.
2-(2-Methyl-6-nitrophenyl)acetic acid structure
23876-18-8 structure
Product Name:2-(2-Methyl-6-nitrophenyl)acetic acid
CAS No:23876-18-8
MF:C9H9NO4
MW:195.172062635422
MDL:MFCD00066313
CID:1419437
Update Time:2025-07-02

2-(2-Methyl-6-nitrophenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-methyl-6-nitrophenyl)acetic Acid
    • 2-METHYL-6-NITROPHENYLACETIC ACID
    • ST053517
    • AC1LDTOQ
    • SureCN4408694
    • Oprea1_329918
    • CTK4F2476
    • RB3330
    • (2-Methyl-6-nitrophenyl)acetic acid
    • (6-Methyl-2-nitrophenyl)acetic acid
    • WFKNETIJXXWRHO-UHFFFAOYSA-N
    • 2-methyl-6-nitro-phenylacetic acid
    • 2-(6-methyl-2-nitrophenyl)acetic acid
    • AK151358
    • ST24039216
    • 2-(2-Methyl-6-nitrophenyl)acetic acid
    • MDL： MFCD00066313
    • Inchi： 1S/C9H9NO4/c1-6-3-2-4-8(10(13)14)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
    • InChI Key： WFKNETIJXXWRHO-UHFFFAOYSA-N
    • SMILES： OC(CC1C(=CC=CC=1C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 195.05317
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • XLogP3: 1.9
  • Topological Polar Surface Area: 83.1

Experimental Properties

  • Density: 1.346±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.98 g/l) (25 o C),
  • PSA: 80.44

2-(2-Methyl-6-nitrophenyl)acetic acid Pricemore >>

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