Cas no 64201-64-5 (Quinoline, 1-oxide,hydrate (1:1))

Quinoline 1-oxide hydrate (1:1) is a nitrogen-containing heterocyclic compound with the molecular formula C9H7NO·H2O. This hydrate form of quinoline N-oxide offers enhanced stability and solubility in aqueous solutions compared to its anhydrous counterpart, making it advantageous for applications in organic synthesis and coordination chemistry. The oxide functionality at the 1-position increases its reactivity as an intermediate in oxidation reactions and metal complex formation. Its crystalline hydrate structure ensures consistent purity and handling properties. This compound is commonly utilized in pharmaceutical research, catalysis, and as a precursor for further functionalized quinoline derivatives. Proper storage under anhydrous conditions is recommended to maintain its integrity.
Quinoline, 1-oxide,hydrate (1:1) structure
64201-64-5 structure
Product Name:Quinoline, 1-oxide,hydrate (1:1)
CAS No:64201-64-5
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD00149472
CID:505356
PubChem ID:24847482
Update Time:2025-06-15

Quinoline, 1-oxide,hydrate (1:1) Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 1-oxide,hydrate (1:1)
    • 1-oxidoquinolin-1-ium,hydrate
    • Quinoline N-Oxide Hydrate
    • quinoline 1-oxide monohydrate
    • quinolinol,oxamethane
    • AKOS015855138
    • CUSWDTBBCIXCRB-UHFFFAOYSA-N
    • A834673
    • SCHEMBL5786021
    • FT-0640934
    • Quinoline N-oxide hydrate, 97%
    • CHEMBL4207687
    • Quinoline, 1-oxide, monohydrate
    • DTXSID30214411
    • QUINOLINE-N-OXIDEHYDRATE
    • 198878-42-1
    • quinoline 1-oxide hydrate
    • 64201-64-5
    • BS-23835
    • Quinoline N-oxide hydrate, purum, >=97.0% (HPLC)
    • Quinoline 1-oxide xhydrate
    • MFCD00149472
    • hydrate quinolin-1-ium-1-olate
    • quinoline N-oxide monohydrate
    • QUINOLINE-N-OXIDE HYDRATE
    • Quinoline, 1-oxide, hydrate
    • 1-oxidoquinolin-1-ium;hydrate
    • DB-054625
    • QUINOLINE-1-OXIDE HYDRATE
    • MDL: MFCD00149472
    • Inchi: 1S/C9H7NO.H2O/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H;1H2
    • InChI Key: CUSWDTBBCIXCRB-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CC=C2C=CC=CC=12.O
    • BRN: 5989589

Computed Properties

  • Exact Mass: 163.06300
  • Monoisotopic Mass: 163.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 138
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.5A^2

Experimental Properties

  • Color/Form: Solids
  • Melting Point: 52-55?°C (lit.)
  • Boiling Point: 299.9°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • PSA: 34.69000
  • LogP: 2.20400
  • Sensitiveness: Hygroscopic
  • Solubility: Not determined

Quinoline, 1-oxide,hydrate (1:1) Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/38
  • Safety Instruction: S22; S24/25; S37/39; S26
  • FLUKA BRAND F CODES:3-10
  • RTECS:VC2340000
  • Hazardous Material Identification: Xi
  • Safety Term:S22;S24/25
  • Risk Phrases:R36/38

Quinoline, 1-oxide,hydrate (1:1) 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%

Quinoline, 1-oxide,hydrate (1:1) Pricemore >>

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Quinoline, 1-oxide,hydrate (1:1) Related Literature

Additional information on Quinoline, 1-oxide,hydrate (1:1)

Comprehensive Overview of Quinoline, 1-oxide, hydrate (1:1) (CAS No. 64201-64-5): Properties, Applications, and Industry Insights

Quinoline, 1-oxide, hydrate (1:1) (CAS No. 64201-64-5) is a specialized organic compound belonging to the quinoline derivatives family. This compound has garnered significant attention in recent years due to its unique chemical structure and versatile applications across pharmaceuticals, agrochemicals, and material science. With the increasing demand for nitrogen-containing heterocycles, researchers are exploring its potential in catalysis, drug discovery, and green chemistry initiatives.

The molecular formula of Quinoline, 1-oxide, hydrate (1:1) includes a hydrate moiety, which influences its solubility and stability. This characteristic makes it particularly valuable in aqueous-phase reactions, a trending topic in sustainable chemistry. Recent studies highlight its role as an intermediate in synthesizing bioactive molecules, aligning with the growing interest in targeted therapies and precision medicine.

From an industrial perspective, CAS No. 64201-64-5 is often discussed in forums focusing on scalable synthesis methods and cost-effective production. Innovations in microwave-assisted synthesis and flow chemistry have been applied to optimize its manufacturing process, addressing the need for energy-efficient protocols. These advancements resonate with the global push toward carbon-neutral chemical processes.

Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are critical for characterizing Quinoline, 1-oxide, hydrate (1:1). The compound’s chromatographic behavior and spectral fingerprints are frequently searched topics among analytical chemists, especially those working on method validation for regulatory compliance.

In material science, the oxide functional group of this compound enables interactions with metal surfaces and polymers, making it relevant for corrosion inhibition and coating formulations. This aligns with current research on smart materials and nanotechnology-based solutions for industrial applications.

Environmental considerations are also pivotal. The biodegradability and ecotoxicological profile of CAS No. 64201-64-5 are under scrutiny, reflecting broader concerns about green alternatives in chemical manufacturing. Regulatory databases like REACH and EPA lists often feature discussions on its safe handling and disposal.

For researchers, common queries include "synthetic routes for Quinoline 1-oxide derivatives" and "solubility data of hydrate forms." These topics are frequently indexed in academic search engines, emphasizing the need for accurate, peer-reviewed data. Collaborative platforms like PubChem and SciFinder provide extensive references for further exploration.

In summary, Quinoline, 1-oxide, hydrate (1:1) represents a multifaceted compound with expanding applications. Its integration into cutting-edge research and industrial workflows underscores its importance in modern chemistry, while ongoing studies continue to uncover new potentials in life sciences and advanced materials.

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