Cas no 1261981-22-9 (3-(2,4-Difluorophenyl)-5-nitrobenzoic acid)

3-(2,4-Difluorophenyl)-5-nitrobenzoic acid is a fluorinated aromatic compound featuring both a carboxylic acid and a nitro functional group, making it a versatile intermediate in organic synthesis. Its difluorophenyl moiety enhances electronic properties, while the nitro group offers reactivity for further derivatization, such as reduction to amines or nucleophilic substitution. The carboxylic acid group provides a handle for coupling reactions or salt formation. This compound is particularly useful in pharmaceutical and agrochemical research, where fluorinated aromatic systems are valued for their metabolic stability and bioavailability. Its well-defined structure and functional group compatibility make it a reliable building block for complex molecule synthesis.
3-(2,4-Difluorophenyl)-5-nitrobenzoic acid structure
1261981-22-9 structure
Product Name:3-(2,4-Difluorophenyl)-5-nitrobenzoic acid
CAS No:1261981-22-9
MF:C13H7F2NO4
MW:279.195790529251
MDL:MFCD18319956
CID:2621586
PubChem ID:53225870
Update Time:2025-08-04

3-(2,4-Difluorophenyl)-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2,4-DIFLUOROPHENYL)-5-NITROBENZOIC ACID
    • 1261981-22-9
    • MFCD18319956
    • AKOS017552577
    • 3-(2,4-Difluorophenyl)-5-nitrobenzoic acid, 95%
    • 2',4'-Difluoro-5-nitro[1,1'-biphenyl]-3-carboxylic acid
    • DTXSID50689602
    • 3-(2,4-Difluorophenyl)-5-nitrobenzoic acid
    • MDL： MFCD18319956
    • Inchi： 1S/C13H7F2NO4/c14-9-1-2-11(12(15)6-9)7-3-8(13(17)18)5-10(4-7)16(19)20/h1-6H,(H,17,18)
    • InChI Key： ORQTVAHMMWCNRJ-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=CC=1C1C=C(C=C(C(=O)O)C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 279.03431403Da
  • Monoisotopic Mass: 279.03431403Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 387
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 83.1?2

3-(2,4-Difluorophenyl)-5-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327079-5 g
3-(2,4-Difluorophenyl)-5-nitrobenzoic acid, 95%; .
 1261981-22-9 95%
5g
 €1159.00 2023-04-26
abcr
AB327079-5g
3-(2,4-Difluorophenyl)-5-nitrobenzoic acid, 95%; .
 1261981-22-9 95%
5g
 €1159.00 2024-06-08

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