Cas no 103027-97-0 (1H-indole-2,6-dicarboxylic acid)

1H-Indole-2,6-dicarboxylic acid is a heterocyclic aromatic compound featuring both indole and dicarboxylic acid functional groups. This structure imparts versatility in synthetic chemistry, particularly as a building block for pharmaceuticals, agrochemicals, and advanced materials. The presence of two carboxyl groups at the 2- and 6-positions allows for selective derivatization, enabling the synthesis of diverse derivatives with tailored properties. Its rigid indole core contributes to stability and potential π-π stacking interactions, making it useful in coordination chemistry and supramolecular applications. The compound’s high purity and well-defined reactivity profile ensure reproducibility in research and industrial processes. It is commonly employed in the development of bioactive molecules and functional materials.
1H-indole-2,6-dicarboxylic acid structure
103027-97-0 structure
Product Name:1H-indole-2,6-dicarboxylic acid
CAS No:103027-97-0
MF:C10H7NO4
MW:205.166882753372
MDL:MFCD03095180
CID:136321
PubChem ID:4715441
Update Time:2025-05-26

1H-indole-2,6-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-2,6-dicarboxylicacid
    • Indole-2,6-dicarboxylic acid
    • 6-CARBOXYINDOLE-2-CARBOXYLIC ACID
    • Indol-2,6-dicarbonsaeure
    • 1H-INDOLE-2,6-DICARBOXYLIC ACID
    • FT-0653179
    • MFCD03095180
    • AB01333499-02
    • 6-Carboxyindole-2-carboxylicacid
    • AS-60635
    • NCGC00340824-01
    • DTXSID10405865
    • AMY36476
    • 103027-97-0
    • SCHEMBL69851
    • AKOS001476962
    • CS-0060428
    • J-504695
    • DB-019207
    • STK893425
    • BBL020735
    • 1H-indole-2,6-dicarboxylic acid
    • MDL: MFCD03095180
    • Inchi: 1S/C10H7NO4/c12-9(13)6-2-1-5-3-8(10(14)15)11-7(5)4-6/h1-4,11H,(H,12,13)(H,14,15)
    • InChI Key: WXXRCNKKYCNYFF-UHFFFAOYSA-N
    • SMILES: OC(C1=CC2C=CC(C(=O)O)=CC=2N1)=O

Computed Properties

  • Exact Mass: 205.03800
  • Monoisotopic Mass: 205.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 1.8
  • Topological Polar Surface Area: 90.4A^2

Experimental Properties

  • Density: 1.616
  • Boiling Point: 578.5 °C at 760 mmHg
  • Flash Point: 303.7 °C
  • Refractive Index: 1.763
  • PSA: 90.39000
  • LogP: 1.56430

1H-indole-2,6-dicarboxylic acid Security Information

  • HazardClass:IRRITANT

1H-indole-2,6-dicarboxylic acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1H-indole-2,6-dicarboxylic acid Production Method

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