Cas no 66417-30-9 (2-Bromo-1-methyl-4-(trifluoromethyl)benzene)

2-Bromo-1-methyl-4-(trifluoromethyl)benzene structure
66417-30-9 structure
Product Name:2-Bromo-1-methyl-4-(trifluoromethyl)benzene
CAS No:66417-30-9
MF:C8H6BrF3
MW:239.032452106476
MDL:MFCD01631584
CID:90338
PubChem ID:2779376
Update Time:2025-07-19

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

2-Bromo-1-methyl-4-(trifluoromethyl)benzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    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%

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2-Bromo-1-methyl-4-(trifluoromethyl)benzene Production Method

2-Bromo-1-methyl-4-(trifluoromethyl)benzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:66417-30-9)2-Bromo-1-methyl-4-(trifluoromethyl)benzene
Order Number:A867457
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:05
Price ($):247.0

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.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:66417-30-9)2-Bromo-1-methyl-4-(trifluoromethyl)benzene
A867457
Purity:99%
Quantity:100g
Price ($):247.0
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