Cas no 166599-84-4 (1-benzofuran-4-carboxylic acid)

1-Benzofuran-4-carboxylic acid is a heterocyclic aromatic compound featuring a benzofuran core substituted with a carboxylic acid group at the 4-position. This structure imparts reactivity suitable for use as a versatile intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The carboxylic acid moiety allows for further functionalization, enabling the formation of amides, esters, or other derivatives. Its rigid benzofuran scaffold contributes to stability and potential bioactivity, making it valuable in medicinal chemistry for drug discovery. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
1-benzofuran-4-carboxylic acid structure
166599-84-4 structure
Product Name:1-benzofuran-4-carboxylic acid
CAS No:166599-84-4
MF:C9H6O3
MW:162.142142772675
MDL:MFCD10000600
CID:110780
PubChem ID:22324117
Update Time:2025-11-02

1-benzofuran-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Benzofuran-4-carboxylic acid
    • 1-benzofuran-4-carboxylic acid
    • 4-Benzofurancarboxylic acid
    • 1-benzofurane-4-carboxylic acid
    • 4-BENZOFURANCARBOXYLICACID
    • 4-carboxy-benzofuran
    • Benzofuran-4-carboxylicacid
    • WFAPIZKLEVLUMX-UHFFFAOYSA-N
    • BCP15797
    • FCH832465
    • RP22485
    • PB31474
    • AS06448
    • CM10760
    • SY009703
    • AX8115758
    • A25934
    • J
    • SCHEMBL269277
    • AC-29569
    • AKOS006230316
    • MFCD10000600
    • DS-11209
    • DTXSID00624785
    • EN300-95395
    • CS-W007218
    • 166599-84-4
    • P10903
    • J-519745
    • FT-0645502
    • X6YM86877N
    • MDL: MFCD10000600
    • Inchi: 1S/C9H6O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
    • InChI Key: WFAPIZKLEVLUMX-UHFFFAOYSA-N
    • SMILES: O1C=CC2C(C(=O)O)=CC=CC1=2

Computed Properties

  • Exact Mass: 162.03200
  • Monoisotopic Mass: 162.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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
  • Topological Polar Surface Area: 50.4
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.363
  • Boiling Point: 325.6°C at 760 mmHg
  • Flash Point: 151 oC
  • PSA: 50.44000
  • LogP: 2.13100

1-benzofuran-4-carboxylic acid Security Information

1-benzofuran-4-carboxylic acid Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen 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

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-benzofuran-4-carboxylic acid Production Method

1-benzofuran-4-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:166599-84-4)1-benzofuran-4-carboxylic acid
Order Number:A25934
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:02
Price ($):182.0/632.0

1-benzofuran-4-carboxylic acid Related Literature

Additional information on 1-benzofuran-4-carboxylic acid

Exploring the Versatile Applications of 1-Benzofuran-4-carboxylic Acid (CAS No. 166599-84-4) in Modern Chemistry

1-Benzofuran-4-carboxylic acid (CAS No. 166599-84-4) is a highly valuable heterocyclic compound that has garnered significant attention in pharmaceutical and material science research. With its unique benzofuran scaffold, this carboxylic acid derivative serves as a crucial building block for synthesizing various bioactive molecules. The compound's molecular structure combines the aromatic properties of benzene with the heterocyclic nature of furan, making it particularly interesting for drug discovery applications.

Recent studies highlight the growing importance of benzofuran derivatives in medicinal chemistry, especially in the development of novel therapeutic agents. Researchers are particularly interested in how modifications to the 4-carboxylic acid position can influence biological activity. The compound's versatility allows for numerous synthetic transformations, enabling the creation of diverse molecular architectures with potential applications in treating various health conditions.

The synthesis and applications of 1-benzofuran-4-carboxylic acid have become a hot topic in organic chemistry forums and research publications. Many scientists are investigating its role as a precursor for fluorescent materials, given the inherent photophysical properties of the benzofuran core. This aligns with current trends in materials science, where researchers seek sustainable organic compounds for optoelectronic applications.

From a commercial perspective, the demand for high-purity 1-benzofuran-4-carboxylic acid has been steadily increasing. Pharmaceutical companies and research institutions frequently search for reliable suppliers of this compound, often using specific queries like "CAS 166599-84-4 supplier" or "benzofuran carboxylic acid derivatives." The compound's stability and relatively straightforward synthesis make it attractive for both academic and industrial applications.

In the context of green chemistry, 1-benzofuran-4-carboxylic acid presents interesting opportunities. Researchers are exploring eco-friendly synthetic routes to this compound, responding to the growing demand for sustainable chemical processes. The compound's potential in biodegradable materials is another area attracting attention, particularly in polymer science applications where aromatic carboxylic acids play crucial roles.

The analytical characterization of 166599-84-4 typically involves advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods confirm the compound's purity and structural integrity, which are critical for research applications. Many laboratories searching for "1-benzofuran-4-carboxylic acid characterization" or "benzofuran derivative analysis methods" highlight the importance of reliable analytical data for this compound.

Recent patent literature reveals numerous applications of 1-benzofuran-4-carboxylic acid derivatives in various fields. The compound's structural motif appears in several drug candidates undergoing clinical trials, particularly in areas like inflammation modulation and neurological disorders. This reflects the broader trend of heterocyclic compounds becoming increasingly important in modern drug development pipelines.

From a regulatory standpoint, 1-benzofuran-4-carboxylic acid is generally regarded as safe for research purposes when handled properly. Safety data sheets emphasize standard laboratory precautions, and the compound doesn't fall under special regulatory categories that would limit its research applications. This accessibility contributes to its popularity in chemical research and development.

The future prospects for CAS 166599-84-4 appear promising, with ongoing research uncovering new potential applications. As synthetic methodologies advance and our understanding of structure-activity relationships improves, this compound will likely play an even more significant role in various chemical industries. Its combination of synthetic accessibility and structural versatility makes it a valuable asset in the chemist's toolbox.

For researchers interested in exploring benzofuran chemistry, 1-benzofuran-4-carboxylic acid serves as an excellent starting point. Its well-characterized properties and numerous modification possibilities make it ideal for both fundamental studies and applied research. The compound continues to be the subject of numerous scientific investigations, with new publications regularly appearing in leading chemistry journals.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:166599-84-4)1-benzofuran-4-carboxylic acid
A25934
Purity:99%/99%
Quantity:1g/5g
Price ($):182.0/632.0
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