Cas no 135641-91-7 (3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid)

3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic compound featuring a pyrazole core substituted with a 4-chlorophenyl group and a carboxylic acid functionality. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceutical and agrochemical research. The presence of both the chlorophenyl and carboxylic acid groups enhances its reactivity, enabling further derivatization for the development of bioactive molecules. Its high purity and stability make it suitable for use in rigorous chemical synthesis and drug discovery processes. The compound’s well-defined molecular architecture ensures consistent performance in coupling reactions and intermediate transformations, supporting its utility in advanced organic chemistry applications.
3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid structure
135641-91-7 structure
Product Name:3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
CAS No:135641-91-7
MF:C10H7ClN2O2
MW:222.627781152725
MDL:MFCD07367328
CID:900786
PubChem ID:12189266
Update Time:2025-06-09

3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
    • 3-(4-Chloro-phenyl)-1H-pyrazole-4-carboxylic acid
    • 3-(4-CHLOROPHENYL)-PYRAZOLE-4-CARBOXYLIC ACID
    • 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
    • 3-p-chlorophenyl-1H-pyrazole-4-carboxylic acid
    • BB_SC-9310
    • LH0011
    • STL163352
    • SCHEMBL9519620
    • BS-4309
    • 3-(4-chlorophenyl)-pyrazole-4-carboxylic acid, AldrichCPR
    • F1903-0384
    • SCHEMBL3550171
    • AT33382
    • DTXSID10479728
    • Z212063098
    • SB75076
    • DA-11540
    • MFCD07367328
    • 3-(4-chlorophenyl)pyrazole-4-carboxylic acid
    • 135641-91-7
    • 3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLICACID
    • EN300-25651
    • SY168260
    • DTXCID30430538
    • AKOS000303509
    • MDL： MFCD07367328
    • Inchi： 1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
    • InChI Key： QOICGDIFQWOONP-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)C1=C(C(=O)O)C=NN1

Computed Properties

  • Exact Mass: 222.02000
  • Monoisotopic Mass: 222.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 2
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 453.1±30.0 °C at 760 mmHg
  • Flash Point: 227.8±24.6 °C
  • PSA: 65.98000
  • LogP: 2.42830
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid Security Information

3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. 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:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid Related Literature

Additional information on 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid

Comprehensive Overview of 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS No. 135641-91-7)

3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS No. 135641-91-7) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical structure. The compound features a pyrazole core substituted with a 4-chlorophenyl group and a carboxylic acid functionality, making it a valuable intermediate for synthesizing bioactive molecules. Its unique properties align with current trends in drug discovery, particularly in the development of anti-inflammatory and antimicrobial agents, which are highly sought after in the post-pandemic era.

The growing demand for heterocyclic compounds like 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid stems from their ability to modulate biological pathways. Researchers are increasingly exploring its potential in cancer therapeutics and metabolic disorder treatments, addressing common search queries such as "pyrazole derivatives in medicine" or "chlorophenyl compounds for drug development." Its CAS No. 135641-91-7 is frequently referenced in patent filings and academic journals, underscoring its industrial relevance.

From a synthetic chemistry perspective, the carboxylic acid moiety in 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid allows for facile derivatization, enabling the creation of esters, amides, and other functionalized analogs. This adaptability resonates with the "green chemistry" movement, as users often search for "sustainable synthesis of pyrazole-carboxylic acids." The compound’s 4-chlorophenyl group further enhances its lipophilicity, a critical factor in optimizing drug bioavailability—a hot topic in pharmacokinetics discussions.

In agrochemical applications, 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid serves as a precursor for crop protection agents, aligning with global interest in "eco-friendly pesticides." Its structural motif is analogous to commercial fungicides, answering frequent queries like "chlorophenyl pyrazole fungicides." The compound’s stability under environmental conditions also makes it a candidate for "smart delivery systems" in agriculture, a trending niche in precision farming.

Analytical characterization of CAS No. 135641-91-7 typically involves HPLC, NMR, and mass spectrometry, techniques commonly searched by quality control professionals. Recent studies highlight its compatibility with metal-organic frameworks (MOFs) for catalytic applications, tapping into the buzz around "nanostructured materials." This intersection of chemistry and materials science caters to audiences exploring "multifunctional organic compounds."

Regulatory and safety profiles of 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid adhere to standard laboratory protocols, with no significant hazards reported. This positions it favorably compared to restricted compounds, addressing user concerns about "safe chemical alternatives." Its commercial availability through specialty suppliers further supports its adoption in R&D, a point of interest for procurement teams searching "high-purity pyrazole derivatives."

In conclusion, 3-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS No. 135641-91-7) exemplifies the convergence of medicinal, agricultural, and material sciences. Its multifaceted applications and alignment with trending topics like "targeted drug design" and "sustainable agrochemicals" ensure its continued relevance in scientific and industrial communities.

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