Cas no 66417-30-9 (2-Bromo-1-methyl-4-(trifluoromethyl)benzene)
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-1-methyl-4-(trifluoromethyl)benzene
- 3-Bromo-4-methylbenzotrifluoride
- 2-METHYL-5-(TRIFLUOROMETHYL)BROMOBENZENE
- 2-Bromo-4-(trifluoromethyl)toluene
- Benzene, 2-bromo-1-methyl-4-(trifluoromethyl)-
- 2-bromo-1-methyl-4-trifluoromethyl-benzene
- KSC294O7J
- 2-Bromo-4-trifluoromethyltoluene
- TWWUWLMGYSLODU-UHFFFAOYSA-N
- SBB099022
- BBL100999
- STL554793
- MFCD01631584
- 3-Bromo-4-Methylbenzotrifluoride, AldrichCPR
- 66417-30-9
- AM62329
- SY035110
- CS-W010301
- AKOS003587405
- VMARXRPATIXHSO-UHFFFAOYSA-N
- DTXSID60381423
- 3-BROMO-4-METHYL-TRIFLUOROMETHYLBENZENE
- SCHEMBL624160
- PS-7609
- A867457
- EN300-314358
- FT-0681886
- 2-bromo-1-methyl-4-trifluoromethylbenzene
- DA-03789
-
- MDL: MFCD01631584
- Inchi: 1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3
- InChI Key: TWWUWLMGYSLODU-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(F)(F)F)C=CC=1C
Computed Properties
- Exact Mass: 237.96000
- Monoisotopic Mass: 237.96
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 155
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.9
Experimental Properties
- Color/Form: Liquid
- Density: 1.538±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 183.0±35.0 oC (760 Torr),
- Flash Point: 70.6±21.8 oC,
- Refractive Index: 1.474
- Solubility: Insuluble (4.8E-3 g/L) (25 oC),
- PSA: 0.00000
- LogP: 3.77630
- Solubility: Not determined
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Security Information
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
-
Warning Statement:
P261,P305
P351
P338,P302
P352,P321,P405,P501A - Hazard Category Code: 22
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
2-Bromo-1-methyl-4-(trifluoromethyl)benzene 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%
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 091490-1g |
3-Bromo-4-methylbenzotrifluoride |
66417-30-9 | 95% | 1g |
£13.00 | 2022-03-01 | |
| Fluorochem | 091490-5g |
3-Bromo-4-methylbenzotrifluoride |
66417-30-9 | 95% | 5g |
£53.00 | 2022-03-01 | |
| Fluorochem | 091490-10g |
3-Bromo-4-methylbenzotrifluoride |
66417-30-9 | 95% | 10g |
£88.00 | 2022-03-01 | |
| Fluorochem | 091490-25g |
3-Bromo-4-methylbenzotrifluoride |
66417-30-9 | 95% | 25g |
£166.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120158-5g |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene |
66417-30-9 | 97% | 5g |
¥364.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120158-25g |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene |
66417-30-9 | 97% | 25g |
¥1240.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120158-100g |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene |
66417-30-9 | 97% | 100g |
¥2685.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120158-1g |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene |
66417-30-9 | 97% | 1g |
¥85.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120158-10g |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene |
66417-30-9 | 97% | 10g |
¥620.90 | 2023-09-04 | |
| Alichem | A013012838-250mg |
2-Bromo-4-(trifluoromethyl)toluene |
66417-30-9 | 97% | 250mg |
$470.40 | 2023-09-01 |
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Suppliers
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
Additional information on 2-Bromo-1-methyl-4-(trifluoromethyl)benzene
Recent Advances in the Application of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene (CAS: 66417-30-9) in Chemical Biology and Pharmaceutical Research
2-Bromo-1-methyl-4-(trifluoromethyl)benzene (CAS: 66417-30-9) 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 agrochemicals, pharmaceuticals, and materials science applications. The presence of both bromine and trifluoromethyl groups on the benzene ring makes it a valuable building block for further functionalization, enabling the creation of complex molecular architectures with tailored properties.
Recent studies have highlighted the role of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene in the development of novel drug candidates. For instance, researchers have utilized this compound as a precursor in the synthesis of trifluoromethyl-substituted heterocycles, which are known for their enhanced metabolic stability and bioavailability. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's utility in constructing potent kinase inhibitors, showcasing its potential in targeted cancer therapies. The study reported a 40% improvement in inhibitory activity compared to non-fluorinated analogs, underscoring the importance of the trifluoromethyl group in drug design.
In addition to its pharmaceutical applications, 2-Bromo-1-methyl-4-(trifluoromethyl)benzene has been employed in materials science, particularly in the development of organic electronic materials. A recent breakthrough published in Advanced Materials (2024) detailed its use as a key intermediate in the synthesis of high-performance organic semiconductors. The researchers attributed the compound's effectiveness to its ability to facilitate π-π stacking interactions, which are crucial for charge transport in electronic devices. This finding opens new avenues for the design of next-generation optoelectronic materials.
The synthetic methodologies involving 66417-30-9 have also seen significant advancements. A 2023 Nature Communications paper reported a novel palladium-catalyzed cross-coupling reaction that enables the efficient incorporation of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene into complex molecular frameworks. This method demonstrated remarkable functional group tolerance and high yields (up to 92%), addressing previous challenges in the compound's derivatization. The authors emphasized the method's potential to accelerate drug discovery pipelines by providing rapid access to diverse chemical space.
From a safety and regulatory perspective, recent toxicological studies have provided valuable insights into the handling and environmental impact of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene. A comprehensive assessment published in Chemical Research in Toxicology (2024) established its acute toxicity profile and recommended appropriate safety measures for industrial-scale applications. These findings are particularly relevant as the compound sees increasing use in Good Manufacturing Practice (GMP) settings for pharmaceutical production.
Looking forward, the unique properties of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene position it as a cornerstone in the development of innovative therapeutic agents and advanced materials. Ongoing research efforts are exploring its potential in emerging areas such as PROTAC (Proteolysis Targeting Chimeras) technology and covalent inhibitor design. The compound's versatility, combined with recent methodological advances, suggests it will remain a focal point in chemical biology and medicinal chemistry research for years to come.
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