Cas no 100-48-1 (4-Cyanopyridine)
4-Cyanopyridine Chemical and Physical Properties
Names and Identifiers
-
- Isonicotinonitrile
- ISONICOTINIC ACID NITRILE
- 4-PYRIDINECARBONITRILE
- 4-CYANOPYRIDINE
- TIMTEC-BB SBB008923
- 4-Pyridinenitrile
- Pyridine-4-carbonitrile
- SPECS AC-907
- 4-cyanopyridin
- Cyanopyridine,4-
- gamma-Cyanopyridine
- AKOS BBS-00004486
- 4-Cyanopyridine,98%
- 4-Cyanopyridine ,99%
- 4-Cyano pyridine
- .gamma.-Cyanopyridine
- GPHQHTOMRSGBNZ-UHFFFAOYSA-N
- BY3226D010
- p-cyanopyridine
- PubChem11155
- DSSTox_RID_79767
- DSSTox_CID_21528
- DSSTox_GSID_41528
- Jsp000
- DTXCID7021528
- 4-Pyridinecarbonitrile, purum, >=96.0% (GC)
- EN300-18319
- UNII-BY3226D010
- SCHEMBL151611
- ISONIAZID IMPURITY C (EP)
- CHEMBL504918
- SB52238
- BCP30880
- AM81279
- MFCD00006417
- 100-48-1
- Z57899720
- CAS-100-48-1
- C02234
- DS-16750
- D77982
- F0001-0018
- FT-0618310
- Q-200465
- GPHQHTOMRSGBNZ-UHFFFAOYSA-
- NCGC00254647-01
- CS-0015782
- A16206
- DTXSID9041528
- Fampridine Impurity 2 (4-Cyanopyridine)
- InChI=1/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
- AKOS000119008
- 4-Pyridinecarbonitrile, 98%
- NSC60681
- AC-907/25014099
- EINECS 202-856-2
- NSC 60681
- AI3-19232
- NCGC00248155-01
- Q27274960
- NS00022985
- NSC-60681
- Tox21_300741
- 4-Cyanopyridine,99%
- pyridine, 4-cyano-
- DB-016063
- 4-Pyridinecarbonitrile; Isonicotinonitrile
- STK870425
- 4-Cyanopyridine
-
- MDL: MFCD00006417
- Inchi: 1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
- InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N
- SMILES: N1C=CC(C#N)=CC=1
- BRN: 107712
Computed Properties
- Exact Mass: 104.03700
- Monoisotopic Mass: 104.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 105
- 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: 0.5
- Topological Polar Surface Area: 36.7
Experimental Properties
- Color/Form: White to yellowish needle shaped crystals with characteristic odor.
- Density: 1.1145 (rough estimate)
- Melting Point: 77.0 to 81.0 deg-C
- Boiling Point: 198°C(lit.)
- Flash Point: 88 oC
- Refractive Index: 1.5242 (estimate)
- Solubility: 40g/l
- Water Partition Coefficient: 3.2 g/100ml (16.4 oC)
- Stability/Shelf Life: Stable. Incompatible with strong bases, strong oxidizing agents, strong acids.
- PSA: 36.68000
- LogP: 0.95328
- Sensitiveness: Easily absorb moisture
- Solubility: Soluble in ethanol, ether and benzene.
4-Cyanopyridine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302,H312,H332
- Warning Statement: P280
- Hazardous Material transportation number:3276
- WGK Germany:3
- Hazard Category Code: 20/21/22
- Safety Instruction: S36/37-S24/25
-
Hazardous Material Identification:
- PackingGroup:III
- TSCA:Yes
- Storage Condition:Sealed in dry,Room Temperature
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R20/21/22
- Packing Group:III
- Hazard Level:6.1
4-Cyanopyridine Customs Data
- HS CODE:2933399010
- 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%
4-Cyanopyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 050349-100g |
4-Cyanopyridine |
100-48-1 | 98% | 100g |
£14.00 | 2022-03-01 | |
| Fluorochem | 050349-1kg |
4-Cyanopyridine |
100-48-1 | 98% | 1kg |
£65.00 | 2022-03-01 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0461550335- 100g |
4-Cyanopyridine |
100-48-1 | 98% | 100g |
¥ 100.0 | 2021-05-18 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0461559435- 100g |
4-Cyanopyridine |
100-48-1 | 99% | 100g |
¥ 100.0 | 2021-05-18 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P110335-100g |
4-Cyanopyridine |
100-48-1 | 98% | 100g |
¥133.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P110335-2.5kg |
4-Cyanopyridine |
100-48-1 | 98% | 2.5kg |
¥684.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P110335-25g |
4-Cyanopyridine |
100-48-1 | 98% | 25g |
¥72.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P110335-500g |
4-Cyanopyridine |
100-48-1 | 98% | 500g |
¥512.90 | 2023-09-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018568-10g |
4-Cyanopyridine |
100-48-1 | 98% | 10g |
¥29 | 2023-09-11 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018568-100g |
4-Cyanopyridine |
100-48-1 | 98% | 100g |
¥39 | 2023-09-11 |
4-Cyanopyridine Suppliers
4-Cyanopyridine Related Literature
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Haishuang Zhao,Alexander Bodach,Miriam Heine,Yasar Krysiak,Jürgen Glinnemann,Edith Alig,Lothar Fink,Martin U. Schmidt CrystEngComm 2017 19 2216
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2. Chemistry of 6H-pyrido[3,4-b]carbazoles. Part 6. The structure of some dihydropyridines derived from the addition of cyanide ion to 1-(N-methylacetamido)pyridinium salts and their further reactionsMichael Driver,Malcolm Sainsbury J. Chem. Soc. Perkin Trans. 1 1979 2502
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Fei Ye,Fatma Boukattaya,Mansour Haddad,Virginie Ratovelomanana-Vidal,Véronique Michelet New J. Chem. 2018 42 3222
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Rajendar Nasani,Manideepa Saha,Shaikh M. Mobin,Luísa M. D. R. S. Martins,Armando J. L. Pombeiro,Alexander M. Kirillov,Suman Mukhopadhyay Dalton Trans. 2014 43 9944
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5. Polyfluorocarbanion chemistry. Part II. Fluoride-initiated reactions of hexafluoropropene with pentafluoropyridine and tetrafluoropyridine-4-carbonitrileColin J. Drayton,William T. Flowers,Robert N. Haszeldine J. Chem. Soc. Perkin Trans. 1 1975 1029
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyridines and derivatives Pyridines and derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyridines and derivatives
- Pharmaceutical and Biochemical Products Medicinal Building Blocks Heterocyclic Building Blocks
- Solvents and Organic Chemicals Organic Compounds Heterocyclic Compounds
Additional information on 4-Cyanopyridine
Introduction to 4-Cyanopyridine (CAS No. 100-48-1)
4-Cyanopyridine, with the chemical formula C?H?N?, is a heterocyclic organic compound belonging to the pyridine family. This compound is characterized by a pyridine ring substituted with a cyano group at the 4-position. Its CAS number, 100-48-1, uniquely identifies it in chemical databases and literature, making it a key reference for researchers and industrial applications. The structural features of 4-Cyanopyridine contribute to its versatility, enabling its use in various synthetic pathways and as an intermediate in pharmaceutical and agrochemical industries.
The cyano group in 4-Cyanopyridine is a highly reactive functional moiety, which allows for further chemical modifications such as reduction to an amine or substitution reactions. This reactivity has made 4-Cyanopyridine a valuable building block in medicinal chemistry. Recent studies have highlighted its role in the synthesis of bioactive molecules, particularly in the development of small-molecule inhibitors targeting neurological and inflammatory disorders.
In the pharmaceutical industry, 4-Cyanopyridine has been utilized in the synthesis of antiviral and anticancer agents. For instance, derivatives of 4-Cyanopyridine have shown promise in inhibiting enzymes involved in cancer cell proliferation. The compound’s ability to act as a scaffold for drug design has been leveraged to develop novel therapeutics with improved pharmacokinetic properties. Furthermore, its incorporation into drug molecules has been associated with enhanced binding affinity to biological targets, thereby increasing the efficacy of the final pharmaceutical products.
Recent advancements in computational chemistry have further elucidated the potential of 4-Cyanopyridine as a key intermediate. Molecular modeling studies have demonstrated that modifications at the cyano-substituted position can fine-tune the electronic properties of the compound, influencing its interaction with biological receptors. This insight has guided the design of more potent and selective drug candidates.
Agrochemical applications of 4-Cyanopyridine have also gained attention due to its role in synthesizing herbicides and pesticides. The structural motifs present in 4-Cyanopyridine contribute to its bioactivity against various pests, making it a valuable component in crop protection formulations. Researchers have been exploring ways to optimize its efficacy while minimizing environmental impact, aligning with global sustainability goals.
The synthesis of 4-Cyanopyridine typically involves cyanation reactions on pyridine derivatives or functional group interconversions starting from readily available precursors. Advances in green chemistry have led to more sustainable synthetic routes, including catalytic methods that reduce waste and energy consumption. These innovations not only improve the economic feasibility of producing 4-Cyanopyridine but also enhance its overall environmental footprint.
Industrial-scale production of 4-Cyanopyridine requires careful optimization to ensure high yields and purity. Process chemists have employed continuous flow reactors and novel catalysts to enhance reaction efficiency. Such technologies have enabled manufacturers to meet growing demand while adhering to stringent quality standards.
The safety profile of 4-Cyanopyridine is another critical aspect that has been extensively studied. While it is not classified as a hazardous material under standard regulations, proper handling protocols must be followed to prevent exposure risks. Industrial facilities producing or utilizing 4-Cyanopyridine implement rigorous safety measures, including ventilation systems and personal protective equipment (PPE), to safeguard workers.
Future research directions for 4-Cyanopyridine are likely to focus on expanding its applications in drug discovery and material science. The development of new synthetic methodologies will continue to drive innovation, enabling access to novel derivatives with tailored properties. Collaborative efforts between academia and industry are expected to accelerate these developments, fostering advancements that benefit multiple sectors.
In conclusion, 4-Cyanopyridine (CAS No. 100-48-1) is a versatile compound with significant potential across pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structural features and reactivity make it indispensable in synthetic chemistry, while ongoing research continues to uncover new applications and improve production methods. As scientific understanding evolves, the role of 4-Cyanopyridine is poised to expand further, reinforcing its importance in modern chemical research.
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