Cas no 1266996-50-2 (3-(3,5-Difluorophenyl)benzonitrile)
3-(3,5-Difluorophenyl)benzonitrile is a fluorinated aromatic nitrile compound with potential applications in pharmaceuticals, agrochemicals, and materials science. Its key structural features include a benzonitrile core substituted with a 3,5-difluorophenyl group, offering enhanced reactivity and stability for further functionalization. The presence of fluorine atoms improves lipophilicity and metabolic stability, making it valuable in drug discovery. This compound serves as a versatile intermediate in cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. Its high purity and well-defined structure ensure reproducibility in research and industrial processes. Suitable for use in organic synthesis, it is particularly relevant in the development of bioactive molecules and advanced materials.
1266996-50-2 structure
Product Name:3-(3,5-Difluorophenyl)benzonitrile
CAS No:1266996-50-2
MF:C13H7F2N
MW:215.198189973831
CID:2769243
Update Time:2025-05-27
3-(3,5-Difluorophenyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(3,5-Difluorophenyl)benzonitrile
- Z9333
- 3',5'-Difluoro[1,1'-biphenyl]-3-carbonitrile
- [1,1'-Biphenyl]-3-carbonitrile, 3',5'-difluoro-
-
- Inchi: 1S/C13H7F2N/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7H
- InChI Key: LQGPJBUJWILMAW-UHFFFAOYSA-N
- SMILES: FC1C=C(C=C(C=1)C1C=CC=C(C#N)C=1)F
Computed Properties
- Exact Mass: 215.05465555 g/mol
- Monoisotopic Mass: 215.05465555 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 273
- 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
- Molecular Weight: 215.20
- XLogP3: 3.5
- Topological Polar Surface Area: 23.8
3-(3,5-Difluorophenyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D451223-100mg |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D451223-250mg |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 250mg |
$98.00 | 2023-05-18 | ||
| TRC | D451223-500mg |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 500mg |
$150.00 | 2023-05-18 | ||
| TRC | D451223-1g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 1g |
$207.00 | 2023-05-18 | ||
| A2B Chem LLC | AA37537-1g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 98% | 1g |
$142.00 | 2024-04-20 | |
| A2B Chem LLC | AA37537-5g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 98% | 5g |
$402.00 | 2024-04-20 | |
| A2B Chem LLC | AA37537-10g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 98% | 10g |
$662.00 | 2024-04-20 | |
| Crysdot LLC | CD12156637-5g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 95+% | 5g |
$339 | 2024-07-23 | |
| Crysdot LLC | CD12156637-10g |
3-(3,5-Difluorophenyl)benzonitrile |
1266996-50-2 | 95+% | 10g |
$564 | 2024-07-23 | |
| 1PlusChem | 1P000TKX-5g |
[1,1'-Biphenyl]-3-carbonitrile, 3',5'-difluoro- |
1266996-50-2 | 98% | 5g |
$528.00 | 2025-02-18 |
3-(3,5-Difluorophenyl)benzonitrile Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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