Cas no 118791-14-3 (6-Chloroquinoline-3-carboxylic acid)

6-Chloroquinoline-3-carboxylic acid is a versatile heterocyclic compound with a chlorinated quinoline backbone and a carboxylic acid functional group. Its structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The chlorine substituent enhances reactivity for further functionalization, while the carboxylic acid group allows for derivatization into esters, amides, or other derivatives. This compound exhibits stability under standard conditions and is compatible with a range of reaction conditions, making it suitable for use in multi-step synthetic routes. Its well-defined properties ensure consistent performance in research and industrial applications.
6-Chloroquinoline-3-carboxylic acid structure
118791-14-3 structure
Product Name:6-Chloroquinoline-3-carboxylic acid
CAS No:118791-14-3
MF:C10H6ClNO2
MW:207.613141536713
MDL:MFCD09787826
CID:131959
PubChem ID:14241492
Update Time:2025-10-29

6-Chloroquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Chloroquinoline-3-carboxylic acid
    • 3-Carboxy-6-chloroquinoline
    • 6-Chloro-3-quinolinecarboxylic acid
    • 3-Quinolinecarboxylic acid, 6-chloro-
    • PubChem14634
    • UYQIRJWFRMCAID-UHFFFAOYSA-N
    • 6-chloranylquinoline-3-carboxylic acid
    • OR42243
    • FCH1327332
    • AB52327
    • RP26358
    • CHM0116897
    • SY046768
    • AX8159233
    • T
    • 118791-14-3
    • 6-Chloroquinoline-3-carboxylic acid, AldrichCPR
    • 2,3-Difluoro-4-methylbenzylalcohol
    • MFCD09787826
    • CS-W008667
    • AMY13384
    • AKOS015850438
    • EN300-243389
    • A804097
    • DTXSID40557846
    • SCHEMBL2306751
    • FT-0645758
    • FS-3690
    • J-518664
    • DB-061403
    • 6-Chloroquinoline-3-carboxylicacid
    • 6-chloro-quinoline-3-carboxylic acid
    • DTXCID10508628
    • 808-678-7
    • MDL: MFCD09787826
    • Inchi: 1S/C10H6ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
    • InChI Key: UYQIRJWFRMCAID-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2C(C=1)=CC(C(=O)O)=CN=2

Computed Properties

  • Exact Mass: 207.00900
  • Monoisotopic Mass: 207.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 2.3
  • Topological Polar Surface Area: 50.2

Experimental Properties

  • Density: 1.47
  • Boiling Point: 382.1℃ at 760 mmHg
  • Flash Point: 184.901°C
  • Refractive Index: 1.69
  • PSA: 50.19000
  • LogP: 2.58640

6-Chloroquinoline-3-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

6-Chloroquinoline-3-carboxylic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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6-Chloroquinoline-3-carboxylic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:118791-14-3)6-chloroquinoline-3-carboxylic acid
Order Number:sfd4779
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

6-Chloroquinoline-3-carboxylic acid Related Literature

  • 1. 319. Attempts to find new antimalarials. Part XXX. The synthesis of derivatives of quinolino(4′ : 3′-2 : 3)quinoline
    William O. Kermack,Nora E. Storey J. Chem. Soc. 1951 1389

Additional information on 6-Chloroquinoline-3-carboxylic acid

Comprehensive Analysis of 6-Chloroquinoline-3-carboxylic acid (CAS No. 118791-14-3): Properties, Applications, and Industry Insights

6-Chloroquinoline-3-carboxylic acid (CAS No. 118791-14-3) is a high-value quinoline derivative widely recognized for its versatile applications in pharmaceutical synthesis and material science. This compound, characterized by its chloro-substituted quinoline core and carboxylic acid functional group, has garnered significant attention due to its role as a key intermediate in drug development. Researchers and manufacturers frequently search for terms like "6-Chloroquinoline-3-carboxylic acid synthesis", "CAS 118791-14-3 supplier", and "quinoline derivatives in medicinal chemistry", reflecting its industrial relevance.

The molecular structure of 6-Chloroquinoline-3-carboxylic acid combines a halogenated aromatic system with a carboxyl group, enabling diverse chemical modifications. This feature aligns with current trends in structure-activity relationship (SAR) studies, a hot topic in AI-driven drug discovery. The compound's electron-withdrawing chlorine at the 6-position enhances its reactivity in cross-coupling reactions, making it valuable for creating biologically active molecules. Recent publications highlight its utility in developing antimicrobial agents and kinase inhibitors, addressing global health challenges.

From a technical perspective, CAS 118791-14-3 demonstrates notable physicochemical properties: a molecular weight of 207.61 g/mol, melting point range of 210-215°C, and moderate solubility in polar organic solvents. These characteristics are frequently queried in chemical databases and patent searches, particularly by researchers investigating heterocyclic building blocks. The compound's stability under standard laboratory conditions makes it preferable for multistep synthetic routes, a crucial factor in process chemistry optimization.

Industry reports indicate growing demand for 6-Chloroquinoline-3-carboxylic acid in contract research organizations (CROs) and API manufacturing. This aligns with the pharmaceutical sector's focus on small molecule therapeutics and targeted drug delivery systems. Analytical methods for this compound, including HPLC purity testing and spectroscopic characterization (IR, NMR, MS), are commonly discussed in technical forums, reflecting quality control requirements in GMP-compliant production.

Environmental and regulatory aspects of quinoline-based compounds remain a key discussion point. While CAS 118791-14-3 isn't classified as hazardous under major chemical inventories, proper laboratory handling protocols are recommended. Sustainable synthesis approaches using green chemistry principles or catalytic processes represent an emerging research direction, responding to the industry's eco-friendly manufacturing trends.

Market intelligence reveals that 6-Chloroquinoline-3-carboxylic acid price trends and global supply chain dynamics rank among top search queries. The compound's availability from specialty chemical suppliers in North America, Europe, and Asia supports its use in international research collaborations. Recent advancements in continuous flow chemistry have improved its synthetic accessibility, addressing scalability challenges noted in traditional batch synthesis methods.

In material science applications, the conjugated π-system of this chloroquinoline derivative shows promise for developing organic semiconductors and coordination complexes. This connects with growing interest in molecular electronics and metal-organic frameworks (MOFs), frequently searched topics in nanotechnology research. The compound's ability to act as a chelating ligand further expands its utility in catalyst design and luminescent materials.

Quality specifications for CAS 118791-14-3 typically include ≥98% purity by HPLC analysis, with strict controls on heavy metal content and residual solvents. These parameters are critical for pharmaceutical applications where impurity profiling directly impacts drug safety assessments. Analytical data sheets often reference chromatographic retention times and characteristic UV-Vis absorption patterns for identity confirmation.

Future research directions for 6-Chloroquinoline-3-carboxylic acid may explore its potential in bioconjugation chemistry or as a scaffold for proteolysis targeting chimeras (PROTACs) – a cutting-edge area in drug discovery. The compound's structural features position it well for developing targeted protein degraders, a field generating substantial academic and commercial interest. Such applications align with search trends around next-generation therapeutics and small molecule modulators of cellular processes.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:118791-14-3)6-chloroquinoline-3-carboxylic acid
sfd4779
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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