Cas no 1783551-12-1 (1-Bromo-3,5-difluoro-2-methylbenzene)
1-Bromo-3,5-difluoro-2-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-3,5-difluoro-2-methylbenzene
- 2-Bromo-4,6-difluorotoluene
- FCH3697345
- PC501538
- 1-bromo-3,5-difluoro-2-methyl-benzene
- BS-51219
- MFCD28527823
- CS-0157947
- 1783551-12-1
- DS-012618
- AKOS024079032
- SCHEMBL4602927
- C13402
- 1-Bromo-3,5-difluoro-2-methylbenzene
-
- Inchi: 1S/C7H5BrF2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3
- InChI Key: LDULWBQQLFIDBP-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1C)F)F
Computed Properties
- Exact Mass: 205.95427g/mol
- Monoisotopic Mass: 205.95427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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
- Topological Polar Surface Area: 0
- XLogP3: 3.2
1-Bromo-3,5-difluoro-2-methylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013017039-250mg |
2-Bromo-4,6-difluorotoluene |
1783551-12-1 | 97% | 250mg |
484.80 USD | 2021-06-25 | |
| Alichem | A013017039-500mg |
2-Bromo-4,6-difluorotoluene |
1783551-12-1 | 97% | 500mg |
839.45 USD | 2021-06-25 | |
| Alichem | A013017039-1g |
2-Bromo-4,6-difluorotoluene |
1783551-12-1 | 97% | 1g |
1,490.00 USD | 2021-06-25 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NY507-50mg |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 50mg |
354.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NY507-200mg |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 200mg |
885.0CNY | 2021-07-15 | |
| Apollo Scientific | PC501538-1g |
2-Bromo-4,6-difluorotoluene |
1783551-12-1 | 95% | 1g |
£246.00 | 2023-09-02 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B45745-250mg |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 250mg |
¥457.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B45745-1g |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 1g |
¥1136.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B45745-100mg |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 100mg |
¥300.0 | 2024-07-16 | |
| eNovation Chemicals LLC | Y1214162-1g |
1-Bromo-3,5-difluoro-2-methylbenzene |
1783551-12-1 | 95% | 1g |
$400 | 2024-07-23 |
1-Bromo-3,5-difluoro-2-methylbenzene Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on 1-Bromo-3,5-difluoro-2-methylbenzene
Introduction to 1-Bromo-3,5-difluoro-2-methylbenzene (CAS No. 1783551-12-1) and Its Emerging Applications in Chemical Biology
1-Bromo-3,5-difluoro-2-methylbenzene, identified by the Chemical Abstracts Service Number (CAS No.) 1783551-12-1, is a fluorinated aromatic compound that has garnered significant attention in the field of chemical biology due to its unique structural and electronic properties. This molecule, featuring a bromine substituent and two fluorine atoms at the 3rd and 5th positions of a methyl-substituted benzene ring, exhibits distinct reactivity and potential utility in the development of novel pharmaceuticals and agrochemicals.
The introduction of fluorine atoms into aromatic systems is a well-established strategy in medicinal chemistry, as these elements can modulate metabolic stability, lipophilicity, and binding affinity. In particular, the presence of electron-withdrawing fluorine atoms at the 3rd and 5th positions of 1-bromo-3,5-difluoro-2-methylbenzene enhances its ability to interact with biological targets, making it a valuable scaffold for drug discovery. The bromine atom at the 2nd position further extends its synthetic utility, allowing for further functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings.
Recent advancements in computational chemistry have highlighted the potential of 1-bromo-3,5-difluoro-2-methylbenzene as a key intermediate in the synthesis of bioactive molecules. Studies have demonstrated that the fluorinated aromatic core can serve as a privileged structure in the design of kinase inhibitors, particularly those targeting tyrosine kinases involved in cancer therapy. The electron-deficient nature of the aromatic ring, influenced by the fluorine substituents, facilitates strong binding interactions with the hinge region of these kinases, leading to potent inhibitory effects.
Moreover, the structural features of 1-bromo-3,5-difluoro-2-methylbenzene have been explored in the development of antimicrobial agents. Fluorinated aromatics are known to disrupt bacterial cell membranes and inhibit DNA gyrase activity, making them effective against resistant strains of bacteria. Preliminary studies indicate that derivatives of this compound exhibit promising activity against Gram-negative pathogens, which pose significant challenges in clinical settings due to their robust outer membrane barriers.
The role of 1-bromo-3,5-difluoro-2-methylbenzene in material science is also emerging as a critical area of research. Its ability to undergo selective functionalization has enabled the synthesis of advanced polymers with tailored electronic properties. These polymers are being investigated for applications in organic electronics, such as light-emitting diodes (OLEDs) and photovoltaic cells. The incorporation of fluorine atoms enhances charge transport efficiency, while the bromine moiety provides a handle for further modifications.
In conclusion, 1-bromo-3,5-difluoro-2-methylbenzene (CAS No. 1783551-12-1) represents a versatile building block with broad applicability across multiple domains of chemical research. Its unique structural attributes make it an indispensable tool for medicinal chemists seeking to develop innovative therapeutics, for materials scientists aiming to engineer next-generation electronic materials, and for biologists exploring novel interactions at the molecular level. As our understanding of its reactivity and biological impact continues to evolve, this compound is poised to play an increasingly pivotal role in shaping the future of chemical biology.
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