Cas no 16858-56-3 (2-chloro-6-methyl-pyrimidine-4-carbonitrile)

2-Chloro-6-methyl-pyrimidine-4-carbonitrile is a versatile heterocyclic compound with a pyrimidine core functionalized with chloro, methyl, and cyano groups. Its molecular structure (C?H?ClN?) offers reactive sites for further synthetic modifications, making it a valuable intermediate in pharmaceutical and agrochemical applications. The chloro group facilitates nucleophilic substitution reactions, while the cyano group can be transformed into carboxylic acids, amides, or other derivatives. The methyl substituent enhances stability and influences electronic properties. This compound is particularly useful in the synthesis of bioactive molecules, including potential kinase inhibitors or antimicrobial agents. Its high purity and well-defined reactivity profile ensure consistent performance in research and industrial processes.
2-chloro-6-methyl-pyrimidine-4-carbonitrile structure
16858-56-3 structure
Product Name:2-chloro-6-methyl-pyrimidine-4-carbonitrile
CAS No:16858-56-3
MF:C6H4ClN3
MW:153.569059371948
MDL:MFCD09878518
CID:105891
PubChem ID:12355082
Update Time:2025-05-25

2-chloro-6-methyl-pyrimidine-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-methylpyrimidine-4-carbonitrile
    • 4-Pyrimidinecarbonitrile, 2-chloro-6-methyl-
    • OTAVA-BB 1366914
    • 2-chloro-6-methyl-pyrimidine-4-carbonitrile
    • CS-0106159
    • SY068353
    • SCHEMBL1179519
    • AKOS006311402
    • DTXSID50493665
    • SB34171
    • 2-chloro-6-cyano-4-methylpyrimidine
    • Z1198235505
    • A810990
    • MFCD09878518
    • EN300-192972
    • 2-chloro-4-cyano-6-methyl pyrimidine
    • AMY28868
    • O10750
    • 16858-56-3
    • SDYFYBAYSDNFRP-UHFFFAOYSA-N
    • 4-Pyrimidinecarbonitrile,2-chloro-6-methyl-
    • MDL: MFCD09878518
    • Inchi: 1S/C6H4ClN3/c1-4-2-5(3-8)10-6(7)9-4/h2H,1H3
    • InChI Key: SDYFYBAYSDNFRP-UHFFFAOYSA-N
    • SMILES: ClC1=NC(C#N)=CC(C)=N1

Computed Properties

  • Exact Mass: 153.00900
  • Monoisotopic Mass: 153.0093748g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 1.6
  • Topological Polar Surface Area: 49.6?2

Experimental Properties

  • Density: 1.358
  • Boiling Point: 324.52 °C at 760 mmHg
  • Flash Point: 150.064 °C
  • PSA: 49.57000
  • LogP: 1.31008

2-chloro-6-methyl-pyrimidine-4-carbonitrile Security Information

  • Hazardous Material transportation number:3439
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36/37/39

2-chloro-6-methyl-pyrimidine-4-carbonitrile Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-chloro-6-methyl-pyrimidine-4-carbonitrile Pricemore >>

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2-chloro-6-methyl-pyrimidine-4-carbonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:16858-56-3)2-chloro-6-methyl-pyrimidine-4-carbonitrile
Order Number:A810990
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:06
Price ($):166.0/557.0

Additional information on 2-chloro-6-methyl-pyrimidine-4-carbonitrile

Comprehensive Guide to 2-Chloro-6-methyl-pyrimidine-4-carbonitrile (CAS No. 16858-56-3): Properties, Applications, and Industry Insights

2-Chloro-6-methyl-pyrimidine-4-carbonitrile (CAS No. 16858-56-3) is a specialized heterocyclic compound gaining significant attention in pharmaceutical and agrochemical research. This pyrimidine derivative features a unique molecular structure combining a chloro substituent, methyl group, and nitrile functionality, making it a versatile intermediate for synthesizing complex molecules. Its molecular formula C6H4ClN3 and precise structural configuration enable diverse applications in modern organic chemistry.

Recent trends in drug discovery and crop protection have driven increased interest in this compound, with search analytics showing growing queries about "pyrimidine-based building blocks" and "nitrile-containing intermediates." The compound's electron-deficient pyrimidine core makes it particularly valuable for designing kinase inhibitors and other bioactive molecules, addressing current demands in targeted therapeutics development.

The physicochemical properties of 2-chloro-6-methyl-pyrimidine-4-carbonitrile contribute to its utility in synthetic chemistry. With a molecular weight of 153.57 g/mol and characteristic stability under various reaction conditions, it serves as an excellent precursor for cross-coupling reactions and nucleophilic substitutions. Researchers particularly value its compatibility with modern green chemistry protocols, aligning with industry shifts toward sustainable synthesis methods.

In pharmaceutical applications, this chloropyrimidine derivative has shown promise in the development of small molecule drugs targeting various disease pathways. Its structural features enable efficient structure-activity relationship (SAR) studies, with the nitrile group offering opportunities for further derivatization through click chemistry approaches. These characteristics make it relevant to current research trends in fragment-based drug design and proteolysis targeting chimeras (PROTACs).

The agrochemical sector utilizes 2-chloro-6-methyl-pyrimidine-4-carbonitrile as a key intermediate for developing novel crop protection agents. Its structural motifs appear in several advanced fungicides and herbicides, addressing the growing need for solutions against resistant pathogens. This aligns with increasing searches for "next-generation agrochemicals" and "sustainable pest control" options in agricultural communities.

From a synthetic chemistry perspective, the compound's regioselective reactivity enables precise modifications at specific molecular positions. This characteristic proves valuable in combinatorial chemistry and parallel synthesis workflows, supporting the pharmaceutical industry's demand for efficient compound library generation. Recent publications highlight its use in metal-catalyzed reactions, particularly in constructing complex heterocyclic systems.

Quality control of CAS 16858-56-3 involves rigorous analytical techniques including HPLC purity analysis, mass spectrometry confirmation, and NMR characterization. These protocols ensure batch-to-batch consistency for research and development applications. The compound typically appears as a white to off-white crystalline powder with defined melting point characteristics, facilitating identification and purity assessment.

Storage and handling recommendations for 2-chloro-6-methyl-pyrimidine-4-carbonitrile emphasize protection from moisture and maintenance at controlled temperatures. Proper handling aligns with general laboratory safety protocols while preserving the compound's stability and reactivity for synthetic applications. These considerations respond to frequent search queries about "chemical storage best practices" among research professionals.

The commercial availability of 16858-56-3 through specialty chemical suppliers has expanded in recent years, reflecting growing industrial demand. Current market analysis indicates increasing procurement for contract research organizations and academic institutions engaged in medicinal chemistry programs. This trend corresponds with rising interest in custom synthesis services and building block collections for drug discovery pipelines.

Future research directions for this pyrimidine-carbonitrile compound may explore its potential in material science applications, particularly in designing organic electronic components. The conjugated system and electron-withdrawing groups present opportunities for developing novel organic semiconductors, addressing emerging needs in flexible electronics and optoelectronic devices.

Environmental considerations regarding 2-chloro-6-methyl-pyrimidine-4-carbonitrile focus on developing efficient waste management protocols for laboratory-scale use. Recent advancements in chemical degradation methods provide sustainable solutions for handling process residues, responding to industry priorities in green chemistry implementation.

In conclusion, 2-chloro-6-methyl-pyrimidine-4-carbonitrile (CAS No. 16858-56-3) represents a valuable synthetic intermediate with diverse applications across multiple scientific disciplines. Its unique structural features and adaptable chemistry position it as an important tool for addressing current challenges in pharmaceutical development, agrochemical innovation, and potentially advanced materials research. The compound's growing prominence reflects broader trends toward specialized heterocyclic building blocks in modern chemical sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:16858-56-3)2-chloro-6-methyl-pyrimidine-4-carbonitrile
A810990
Purity:99%/99%
Quantity:1g/5g
Price ($):166.0/557.0
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