Cas no 36094-04-9 (2-Phenyl-1,3-thiazole-4-carbonyl Chloride)

2-Phenyl-1,3-thiazole-4-carbonyl chloride is a versatile acyl chloride derivative used primarily as a key intermediate in organic synthesis. Its reactive carbonyl chloride group enables efficient acylation reactions, making it valuable for constructing amides, esters, and other functionalized compounds. The phenyl-substituted thiazole core contributes to its stability and potential applications in pharmaceutical and agrochemical research. This compound is particularly useful in the synthesis of heterocyclic scaffolds due to its compatibility with various nucleophiles. It is typically handled under anhydrous conditions to prevent hydrolysis. Its well-defined reactivity profile and structural features make it a practical choice for researchers developing bioactive molecules or advanced materials.
2-Phenyl-1,3-thiazole-4-carbonyl Chloride structure
36094-04-9 structure
Product Name:2-Phenyl-1,3-thiazole-4-carbonyl Chloride
CAS No:36094-04-9
MF:C10H6ClNOS
MW:223.678740024567
MDL:MFCD02681968
CID:303519
PubChem ID:2776472
Update Time:2025-05-27

2-Phenyl-1,3-thiazole-4-carbonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarbonylchloride, 2-phenyl-
    • 2-PHENYL-1,3-THIAZOLE-4-CARBONYL CHLORIDE
    • 2-phenyl-1,3-thiazol-4-carbonyl chloride
    • 2-phenyl-1,3-thiazole-4-carboxylic acid chloride
    • 2-phenyl-4-thiazolecarboxylic acid chloride
    • 2-Phenyl-thiazol-4-carbonylchlorid
    • 2-phenyl-thiazole-4-carbonyl chloride
    • 2-phenyl-thiazole-4-carboxylic acid chloride
    • 4-Thiazolecarbonylchloride,2-phenyl
    • 2-phenylthiazole-4-carbonylchloride
    • DTXSID70380109
    • ZZFOIDMEHXGBKS-UHFFFAOYSA-N
    • FT-0613306
    • 2-phenyl-1,3-thiazole-4-carbonyl chloride, AldrichCPR
    • MFCD02681968
    • AKOS022260490
    • 2-PHENYL-1,3-THIAZOLE-4-CARBONYLCHLORIDE
    • PS-10726
    • 2-phenylthiazole-4-carbonyl chloride
    • SCHEMBL168291
    • J-510242
    • 36094-04-9
    • DB-010833
    • 2-Phenyl-1,3-thiazole-4-carbonyl Chloride
    • MDL: MFCD02681968
    • Inchi: 1S/C10H6ClNOS/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-6H
    • InChI Key: ZZFOIDMEHXGBKS-UHFFFAOYSA-N
    • SMILES: ClC(C1=CSC(C2C=CC=CC=2)=N1)=O

Computed Properties

  • Exact Mass: 222.98600
  • Monoisotopic Mass: 222.986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 58.2A^2

Experimental Properties

  • Density: 1.365
  • Melting Point: 100 °C
  • Boiling Point: 358.3°Cat760mmHg
  • Flash Point: 170.5°C
  • Refractive Index: 1.62
  • PSA: 58.20000
  • LogP: 3.18910
  • Sensitiveness: Moisture Sensitive

2-Phenyl-1,3-thiazole-4-carbonyl Chloride Security Information

  • Hazardous Material transportation number:UN 3261
  • Hazard Category Code: 34-36
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: C
  • Risk Phrases:R34
  • Safety Term:S26;S36/37/39;S45

2-Phenyl-1,3-thiazole-4-carbonyl Chloride Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 2-Phenyl-1,3-thiazole-4-carbonyl Chloride

Comprehensive Guide to 2-Phenyl-1,3-thiazole-4-carbonyl Chloride (CAS No. 36094-04-9): Properties, Applications, and Industry Insights

2-Phenyl-1,3-thiazole-4-carbonyl Chloride (CAS 36094-04-9) is a specialized organic compound widely recognized for its role as a versatile acylating agent in pharmaceutical and agrochemical synthesis. This thiazole derivative features a reactive carbonyl chloride group, enabling efficient amide bond formation, a critical step in drug development. With the growing demand for heterocyclic building blocks in medicinal chemistry, this compound has gained significant attention in research circles.

Recent trends in AI-driven drug discovery and high-throughput screening have amplified interest in 2-Phenyl-1,3-thiazole-4-carbonyl Chloride, as evidenced by its frequent mention in patent literature. The compound's molecular structure (C10H6ClNOS) offers unique electronic properties, making it valuable for designing kinase inhibitors and antimicrobial agents. Researchers frequently search for "thiazole carbonyl chloride solubility" or "CAS 36094-04-9 synthetic route," reflecting its practical importance in laboratory settings.

From a technical perspective, 36094-04-9 demonstrates excellent reactivity in nucleophilic substitution reactions, particularly with amines to form thiazole carboxamides. Its crystalline form (typically pale yellow) and moderate stability under inert atmospheres make it suitable for multi-step organic synthesis. Industry professionals often inquire about "2-Phenylthiazole-4-COCl storage conditions" or "compatibility with peptide coupling reagents," highlighting operational considerations.

The compound's applications extend to material science, where it serves as a precursor for functionalized polymers with optoelectronic properties. In crop protection research, derivatives of 2-Phenyl-1,3-thiazole-4-carbonyl Chloride show promise as biodegradable pesticides, aligning with the global push for sustainable agriculture. Environmental scientists are increasingly studying its "green chemistry alternatives" and "catalytic amidation methods" to reduce synthetic waste.

Quality specifications for CAS 36094-04-9 typically require ≥97% purity (HPLC), with strict control of hydrolytic byproducts. Analytical techniques like NMR spectroscopy and mass spectrometry are essential for verification, addressing common search queries such as "thiazole carbonyl chloride characterization." The compound's thermal stability (decomposition >150°C) and solubility profile (favors dichloromethane, THF) are frequently documented in technical datasheets.

Emerging research explores the compound's potential in bioorthogonal chemistry and click reactions, particularly for bioconjugation applications. Its electron-withdrawing thiazole ring enhances reactivity in metal-catalyzed cross-couplings, a topic gaining traction in organometallic chemistry forums. Patent analysis reveals growing use in radiopharmaceuticals and PET tracer development, answering frequent queries about "thiazole derivatives in imaging agents."

For synthetic chemists, handling 2-Phenyl-1,3-thiazole-4-carbonyl Chloride requires standard Schlenk techniques to prevent moisture absorption. The scientific community actively discusses "scaling up thiazole-4-carbonyl chloride reactions" and "continuous flow alternatives" to traditional batch processes. These operational considerations complement the compound's theoretical importance in mechanistic organic chemistry studies.

Market analysts note steady demand for 36094-04-9 from contract research organizations and academic laboratories, particularly in regions with strong pharma R&D infrastructure. The compound's IP landscape shows increasing patent filings related to anticancer drug candidates and antiviral compounds, addressing search trends like "thiazole pharmacophores 2024." Regulatory databases confirm its approval for research use under standard laboratory safety protocols.

Future directions for 2-Phenyl-1,3-thiazole-4-carbonyl Chloride research include computational modeling of its reactivity patterns and development of water-stable analogs. These advancements respond to industry needs for greener synthetic methods while maintaining the compound's utility as a molecular scaffold. Technical discussions often center on "thiazole-4-carbonyl chloride DFT studies" and "solid-phase applications," reflecting evolving applications in combinatorial chemistry.

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