Cas no 16858-56-3 (2-chloro-6-methyl-pyrimidine-4-carbonitrile)
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:
2933599090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C373688-25mg |
2-chloro-6-methylpyrimidine-4-carbonitrile |
16858-56-3 | 25mg |
$ 50.00 | 2022-04-01 | ||
| TRC | C373688-50mg |
2-chloro-6-methylpyrimidine-4-carbonitrile |
16858-56-3 | 50mg |
$ 70.00 | 2022-04-01 | ||
| TRC | C373688-250mg |
2-chloro-6-methylpyrimidine-4-carbonitrile |
16858-56-3 | 250mg |
$ 250.00 | 2022-04-01 | ||
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 70R0168-1g |
2-Chloro-6-methyl-pyrimidine-4-carbonitrile |
16858-56-3 | 97% | 1g |
2120.11CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 70R0168-5g |
2-Chloro-6-methyl-pyrimidine-4-carbonitrile |
16858-56-3 | 97% | 5g |
6360.32CNY | 2021-05-08 | |
| Apollo Scientific | OR959108-250mg |
2-Chloro-6-methylpyrimidine-4-carbonitrile |
16858-56-3 | 99% | 250mg |
£49.00 | 2025-02-21 | |
| Apollo Scientific | OR959108-1g |
2-Chloro-6-methylpyrimidine-4-carbonitrile |
16858-56-3 | 99% | 1g |
£158.00 | 2025-02-21 | |
| abcr | AB490663-250 mg |
2-Chloro-6-methylpyrimidine-4-carbonitrile, 95%; . |
16858-56-3 | 95% | 250MG |
€172.80 | 2023-04-20 | |
| abcr | AB490663-1 g |
2-Chloro-6-methylpyrimidine-4-carbonitrile, 95%; . |
16858-56-3 | 95% | 1g |
€370.90 | 2023-04-20 | |
| abcr | AB490663-5 g |
2-Chloro-6-methylpyrimidine-4-carbonitrile, 95%; . |
16858-56-3 | 95% | 5g |
€986.30 | 2023-04-20 |
2-chloro-6-methyl-pyrimidine-4-carbonitrile Suppliers
2-chloro-6-methyl-pyrimidine-4-carbonitrile Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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.
16858-56-3 (2-chloro-6-methyl-pyrimidine-4-carbonitrile) Related Products
- 29872-58-0(4,6-Pyrimidinedicarbonitrile,2-chloro-)
- 1227958-88-4(2-Chloro-4-(methyl-13C, d3)pyrimidine)
- 4472-44-0(2-Chloro-4,6-dimethylpyrimidine)
- 2460490-24-6(2-chloro-4-(methyl-d3)pyrimidine-5,6-d2)
- 26293-93-6(2,6-Dichloropyrimidine-4-carbonitrile)
- 13036-57-2(2-Chloro-4-methylpyrimidine)
- 28840-41-7(6-Methylpyrimidine-4-carbonitrile)
- 1804892-77-0(2,5-Dichloropyrimidine-4-carbonitrile)
- 75833-38-4(2-Chloropyrimidine-4-carbonitrile)
- 50844-89-8(Pyrimidine-4,6-dicarbonitrile)