Cas no 1245914-98-0 (5-Bromo-2-(trifluoromethyl)nicotinonitrile)
5-Bromo-2-(trifluoromethyl)nicotinonitrile is a high-purity heterocyclic compound featuring a bromo-substituted pyridine core with a trifluoromethyl group and a nitrile functionality. Its molecular structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients requiring halogenated or fluorinated motifs. The presence of both bromine and trifluoromethyl groups enhances reactivity in cross-coupling reactions, while the nitrile group offers further derivatization potential. This compound is characterized by its stability under standard conditions and compatibility with a range of organic transformations, making it suitable for research and industrial applications in medicinal chemistry and material science.
1245914-98-0 structure
Product Name:5-Bromo-2-(trifluoromethyl)nicotinonitrile
CAS No:1245914-98-0
MF:C7H2BrF3N2
MW:251.003390789032
CID:4900588
Update Time:2025-05-27
5-Bromo-2-(trifluoromethyl)nicotinonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-2-(trifluoromethyl)nicotinonitrile
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- Inchi: 1S/C7H2BrF3N2/c8-5-1-4(2-12)6(13-3-5)7(9,10)11/h1,3H
- InChI Key: YWJOURXCSWXEHA-UHFFFAOYSA-N
- SMILES: BrC1=CN=C(C(F)(F)F)C(C#N)=C1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- XLogP3: 2.2
- Topological Polar Surface Area: 36.7
5-Bromo-2-(trifluoromethyl)nicotinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029013426-250mg |
5-Bromo-2-(trifluoromethyl)nicotinonitrile |
1245914-98-0 | 95% | 250mg |
$989.80 | 2023-09-03 | |
| Alichem | A029013426-1g |
5-Bromo-2-(trifluoromethyl)nicotinonitrile |
1245914-98-0 | 95% | 1g |
$2923.95 | 2023-09-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1596864-1g |
5-Bromo-2-(trifluoromethyl)nicotinonitrile |
1245914-98-0 | 98% | 1g |
¥9786.00 | 2024-08-09 | |
| 1PlusChem | 1P01W9F9-50mg |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 50mg |
$487.00 | 2024-07-10 | |
| 1PlusChem | 1P01W9F9-100mg |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 100mg |
$699.00 | 2024-07-10 | |
| 1PlusChem | 1P01W9F9-250mg |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 250mg |
$971.00 | 2024-07-10 | |
| 1PlusChem | 1P01W9F9-500mg |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 500mg |
$1494.00 | 2024-07-10 | |
| 1PlusChem | 1P01W9F9-1g |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 1g |
$1898.00 | 2024-07-10 | |
| 1PlusChem | 1P01W9F9-2.5g |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 2.5g |
$3662.00 | 2023-12-25 | |
| 1PlusChem | 1P01W9F9-5g |
5-Bromo-2-(trifluoromethyl)pyridine-3-carbonitrile |
1245914-98-0 | 95% | 5g |
$5388.00 | 2023-12-25 |
5-Bromo-2-(trifluoromethyl)nicotinonitrile Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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