Cas no 99725-44-7 (5-Bromo-2-fluoro-1,3-dimethylbenzene)
5-Bromo-2-fluoro-1,3-dimethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromo-2-fluoro-1,3-dimethylbenzene
- 5-Bromo-2-fluoro-m-xylene
- 4-BROMO-2,6-DIMETHYLFLUOROBENZENE
- 5-bromo-2-fluoro-3-xylene
- 1-Bromo-4-fluoro-3,5-dimethylbenzene
- Benzene, 5-bromo-2-fluoro-1,3-dimethyl-
- 3,5-Dimethyl-4-fluorobromobenzene
- 5-Bromo-2-fluoro-1,3-xylene
- 5-bromo-2-fluoro-1,3-dimethyl-benzene
- KSC486I9J
- ZXPHUVHMBKRRJF-UHFFFAOYSA-N
- WT243
- EBD11149
- PC0327
- DT2173
- SBB093049
- ANW-7
-
- MDL: MFCD01320701
- Inchi: 1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
- InChI Key: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
- SMILES: BrC1C=C(C)C(=C(C)C=1)F
Computed Properties
- Exact Mass: 201.97900
- Monoisotopic Mass: 201.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 104
- 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: 3.4
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: powder
- Density: 1.426±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 89°C/17mmHg(lit.)
- Flash Point: 80.4±20.8 oC,
- Refractive Index: 1.52
- Solubility: Almost insoluble (0.018 g/l) (25 o C),
- PSA: 0.00000
- LogP: 3.20500
- Solubility: Not determined
5-Bromo-2-fluoro-1,3-dimethylbenzene Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H227-H315-H319
- Warning Statement: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36/37/39
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
5-Bromo-2-fluoro-1,3-dimethylbenzene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
5-Bromo-2-fluoro-1,3-dimethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009060-1g |
5-Bromo-2-fluoro-m-xylene |
99725-44-7 | 97% | 1g |
£17.00 | 2022-03-01 | |
| Fluorochem | 009060-5g |
5-Bromo-2-fluoro-m-xylene |
99725-44-7 | 97% | 5g |
£41.00 | 2022-03-01 | |
| Fluorochem | 009060-25g |
5-Bromo-2-fluoro-m-xylene |
99725-44-7 | 97% | 25g |
£191.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152466-1G |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | >97.0%(GC) | 1g |
¥114.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152466-250mg |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | >97.0%(GC) | 250mg |
¥45.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152466-25g |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | >97.0%(GC) | 25g |
¥1201.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152466-5G |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | >97.0%(GC) | 5g |
¥283.90 | 2023-09-04 | |
| Chemenu | CM256101-25g |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | 95+% | 25g |
$179 | 2021-06-16 | |
| Chemenu | CM256101-100g |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | 95+% | 100g |
$559 | 2021-06-16 | |
| TRC | B699825-10mg |
5-Bromo-2-fluoro-1,3-dimethylbenzene |
99725-44-7 | 10mg |
$ 50.00 | 2022-06-06 |
5-Bromo-2-fluoro-1,3-dimethylbenzene Suppliers
5-Bromo-2-fluoro-1,3-dimethylbenzene Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives m-Xylenes
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Xylenes m-Xylenes
- Pharmaceutical and Biochemical Products Medicinal Building Blocks Fluorine containing Building Blocks
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
Additional information on 5-Bromo-2-fluoro-1,3-dimethylbenzene
Recent Advances in the Application of 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7) in Chemical Biology and Pharmaceutical Research
5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7) is a halogenated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates and agrochemicals. The unique combination of bromine and fluorine substituents on the benzene ring, along with the presence of methyl groups, imparts distinct electronic and steric properties that make it a valuable building block in medicinal chemistry.
Recent studies have explored the use of 5-Bromo-2-fluoro-1,3-dimethylbenzene in the development of novel kinase inhibitors, particularly those targeting cancer-related pathways. A 2023 publication in the Journal of Medicinal Chemistry demonstrated its utility in the synthesis of selective EGFR inhibitors, where the bromine atom facilitated further functionalization via cross-coupling reactions. The fluorine atom, on the other hand, was shown to enhance metabolic stability and binding affinity through strategic hydrogen bonding interactions with target proteins.
In the field of radiopharmaceuticals, researchers have utilized 5-Bromo-2-fluoro-1,3-dimethylbenzene as a precursor for the development of PET (Positron Emission Tomography) tracers. The presence of fluorine-18, a commonly used radioisotope in medical imaging, can be introduced through nucleophilic aromatic substitution reactions. A recent study published in Nuclear Medicine and Biology (2024) reported the successful incorporation of this compound into a novel tracer for imaging neuroinflammation, demonstrating excellent blood-brain barrier penetration and target specificity.
The compound's potential in agrochemical applications has also been investigated. Research published in Pest Management Science (2023) highlighted its use as a key intermediate in the synthesis of new-generation fungicides. The electron-withdrawing effects of the bromine and fluorine substituents were found to significantly enhance the stability of the resulting compounds under field conditions, while the methyl groups contributed to improved lipophilicity and foliar uptake.
From a synthetic chemistry perspective, recent advances have focused on developing more efficient and sustainable methods for the production and functionalization of 5-Bromo-2-fluoro-1,3-dimethylbenzene. A 2024 study in Green Chemistry demonstrated a novel photocatalytic approach for its synthesis, reducing the need for harsh reagents and minimizing waste generation. This development is particularly significant given the growing emphasis on green chemistry principles in pharmaceutical manufacturing.
Looking forward, the unique properties of 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7) position it as a valuable tool in drug discovery and development. Its versatility in various chemical transformations, combined with the beneficial pharmacological properties imparted by its substituents, suggests that it will continue to play an important role in the design of new therapeutic agents. Ongoing research is exploring its potential in targeted drug delivery systems and as a scaffold for the development of covalent inhibitors, further expanding its applications in medicinal chemistry.
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