Cas no 790696-96-7 (2-Chloro-3-methylisonicotinaldehyde)
2-Chloro-3-methylisonicotinaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-3-methylisonicotinaldehyde
- 2-chloro-3-methylpyridine-4-carbaldehyde
- 2-Chloro-3-methylpyridine-4-carboxaldehyde
- 4-Pyridinecarboxaldehyde, 2-chloro-3-methyl-
- NPGGSSOXOVXWEI-UHFFFAOYSA-N
- FCH876689
- 2370AC
- AB55074
- ST2416681
- AX8072788
- 2-Chloro-3-methylisonicotinaldehyde
-
- MDL: MFCD09910248
- Inchi: 1S/C7H6ClNO/c1-5-6(4-10)2-3-9-7(5)8/h2-4H,1H3
- InChI Key: NPGGSSOXOVXWEI-UHFFFAOYSA-N
- SMILES: ClC1C(C)=C(C=O)C=CN=1
Computed Properties
- Exact Mass: 155.01400
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 129
- Topological Polar Surface Area: 30
Experimental Properties
- PSA: 29.96000
- LogP: 1.85590
2-Chloro-3-methylisonicotinaldehyde Security Information
- Signal Word:Warning
- Hazard Statement: H302-H317-H319
- Warning Statement: P280-P305+P351+P338
- Storage Condition:Inert atmosphere,2-8°C
2-Chloro-3-methylisonicotinaldehyde Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Chloro-3-methylisonicotinaldehyde Pricemore >>
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2-Chloro-3-methylisonicotinaldehyde Suppliers
2-Chloro-3-methylisonicotinaldehyde Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Additional information on 2-Chloro-3-methylisonicotinaldehyde
Introduction to 2-Chloro-3-methylisonicotinaldehyde (CAS No: 790696-96-7)
2-Chloro-3-methylisonicotinaldehyde, with the chemical identifier CAS No. 790696-96-7, is a significant compound in the field of organic synthesis and pharmaceutical research. This heterocyclic aldehyde derivative has garnered attention due to its versatile applications in the development of novel therapeutic agents and agrochemicals. The unique structural features of this compound, including its chloro and methyl substituents on the pyridine ring, contribute to its reactivity and potential utility in various chemical transformations.
The synthesis of 2-Chloro-3-methylisonicotinaldehyde involves a series of well-established organic reactions, such as chlorination and aldehyde formation. The presence of the aldehyde group (CHO) makes it a valuable intermediate for further functionalization, enabling the construction of more complex molecules. Recent advancements in synthetic methodologies have improved the efficiency and yield of its production, making it more accessible for industrial and research purposes.
In the realm of pharmaceutical research, 2-Chloro-3-methylisonicotinaldehyde has been explored as a precursor for biologically active compounds. Its pyridine core is a common motif in many drugs, exhibiting properties that can modulate biological pathways. For instance, derivatives of this compound have shown promise in inhibiting enzymes involved in inflammatory responses and metabolic disorders. The chloro substituent enhances electrophilicity, facilitating further derivatization into pharmacophores that interact with target proteins.
Recent studies have highlighted the compound's role in the development of novel antibiotics. The structural framework of 2-Chloro-3-methylisonicotinaldehyde allows for the creation of molecules with antimicrobial properties. Researchers have demonstrated that modifications at the 2-chloro and 3-methyl positions can significantly alter the spectrum of activity against various bacterial strains. This has spurred interest in exploring its derivatives as potential candidates for combating resistant bacterial infections.
The agrochemical industry has also recognized the potential of 2-Chloro-3-methylisonicotinaldehyde as a building block for pesticides and herbicides. Its ability to undergo diverse chemical reactions makes it a versatile intermediate for synthesizing compounds that protect crops from pests and diseases. For example, certain derivatives have been found to exhibit herbicidal activity by inhibiting key enzymes involved in plant growth regulation.
From a chemical biology perspective, 2-Chloro-3-methylisonicotinaldehyde serves as a valuable tool for studying enzyme mechanisms and ligand-receptor interactions. Its aldehyde group can participate in Schiff base formation, creating stable complexes with amino groups in proteins. This property has been exploited in developing probes for biochemical assays and understanding enzyme kinetics.
The compound's electronic properties make it suitable for applications in material science, particularly in organic electronics. Researchers have investigated its use in designing organic semiconductors and light-emitting diodes (OLEDs). The presence of conjugated systems and electron-withdrawing groups enhances its semiconducting properties, making it a candidate for next-generation electronic devices.
Environmental considerations also play a role in the utilization of 2-Chloro-3-methylisonicotinaldehyde. Efforts are being made to develop sustainable synthetic routes that minimize waste and energy consumption. Green chemistry principles are being applied to optimize its production process, ensuring compliance with environmental regulations while maintaining high yields.
In conclusion, 2-Chloro-3-methylisonicotinaldehyde (CAS No: 790696-96-7) is a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and materials science. Its unique structural features and reactivity make it a valuable intermediate for synthesizing biologically active molecules and advanced materials. As research continues to uncover new possibilities, this compound is poised to play an increasingly important role in addressing global challenges in health, agriculture, and technology.
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