Cas no 628725-99-5 (2-Bromo-6-(trifluoromethoxy)benzothiazole)

2-Bromo-6-(trifluoromethoxy)benzothiazole is a halogenated benzothiazole derivative featuring both bromine and trifluoromethoxy functional groups. This compound is primarily utilized as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The presence of the bromine atom enhances reactivity for cross-coupling reactions, while the trifluoromethoxy group contributes to increased lipophilicity and metabolic stability. Its well-defined structure makes it valuable for constructing complex heterocyclic frameworks. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light. High-purity grades are available for research and industrial applications requiring precise synthetic transformations.
2-Bromo-6-(trifluoromethoxy)benzothiazole structure
628725-99-5 structure
Product Name:2-Bromo-6-(trifluoromethoxy)benzothiazole
CAS No:628725-99-5
MF:C8H3BrF3NOS
MW:298.079730272293
MDL:MFCD09749220
CID:429465
PubChem ID:46739357
Update Time:2025-10-21

2-Bromo-6-(trifluoromethoxy)benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-(trifluoromethoxy)benzo[d]thiazole
    • 2-Bromo-6-(trifluoromethoxy)benzothiazole
    • 2-bromo-6-trifluoromethoxybenzothiazole
    • Benzothiazole, 2-bromo-6-(trifluoromethoxy)-
    • 2-bromo-6-(trifluoromethoxy)-1,3-benzothiazole
    • 628725-99-5
    • SY284462
    • A846464
    • MFCD09749220
    • FT-0688500
    • SCHEMBL3091070
    • AKOS015834951
    • D76355
    • DTXSID00674967
    • EN300-1603375
    • CS-0103391
    • CS-16779
    • KDMNQLMJVHMDCQ-UHFFFAOYSA-N
    • MDL: MFCD09749220
    • Inchi: 1S/C8H3BrF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H
    • InChI Key: KDMNQLMJVHMDCQ-UHFFFAOYSA-N
    • SMILES: BrC1=NC2C=CC(=CC=2S1)OC(F)(F)F

Computed Properties

  • Exact Mass: 296.90700
  • Monoisotopic Mass: 296.907
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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
  • XLogP3: 5
  • Topological Polar Surface Area: 50.4A^2

Experimental Properties

  • Density: 1.831
  • Boiling Point: 289.383 °C at 760 mmHg
  • Flash Point: 128.815 °C
  • PSA: 50.36000
  • LogP: 3.95740

2-Bromo-6-(trifluoromethoxy)benzothiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM123200-1g
2-bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
1g
$281 2021-08-05
Chemenu
CM123200-5g
2-bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
5g
$865 2021-08-05
Alichem
A059004136-5g
2-Bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
5g
$925.00 2023-09-01
TRC
B695218-25mg
2-Bromo-6-(trifluoromethoxy)benzothiazole
628725-99-5
25mg
$ 64.00 2023-04-18
TRC
B695218-50mg
2-Bromo-6-(trifluoromethoxy)benzothiazole
628725-99-5
50mg
$ 75.00 2023-04-18
TRC
B695218-100mg
2-Bromo-6-(trifluoromethoxy)benzothiazole
628725-99-5
100mg
$ 87.00 2023-04-18
TRC
B695218-250mg
2-Bromo-6-(trifluoromethoxy)benzothiazole
628725-99-5
250mg
$ 98.00 2023-04-18
Chemenu
CM123200-250mg
2-bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
250mg
$*** 2023-05-30
Chemenu
CM123200-1g
2-bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
1g
$*** 2023-03-31
Chemenu
CM123200-5g
2-bromo-6-(trifluoromethoxy)benzo[d]thiazole
628725-99-5 95%
5g
$*** 2023-03-31

Additional information on 2-Bromo-6-(trifluoromethoxy)benzothiazole

Introduction to 2-Bromo-6-(trifluoromethoxy)benzothiazole (CAS No: 628725-99-5)

The compound 2-Bromo-6-(trifluoromethoxy)benzothiazole (CAS No: 628725-99-5) is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a bromine atom at the 2-position and a trifluoromethoxy group at the 6-position of a benzothiazole ring. The benzothiazole moiety itself is a heterocyclic aromatic system that has been extensively studied for its versatile properties, making it a valuable component in numerous chemical reactions and material syntheses.

Recent advancements in synthetic chemistry have led to the development of novel methods for the synthesis of benzothiazole derivatives, including 2-Bromo-6-(trifluoromethoxy)benzothiazole. Researchers have explored various catalytic systems and reaction conditions to optimize the synthesis process, ensuring high yields and purity. These efforts have been driven by the increasing demand for such compounds in pharmaceuticals, agrochemicals, and advanced materials.

The trifluoromethoxy group attached to the benzothiazole ring introduces significant electronic and steric effects, which can be exploited in designing new chemical reactions or functional materials. For instance, the trifluoromethoxy group enhances the electron-withdrawing nature of the molecule, making it more reactive in certain substitution reactions. This property has been leveraged in the design of new catalysts and sensors.

One of the most promising applications of 2-Bromo-6-(trifluoromethoxy)benzothiazole lies in its potential use as an intermediate in drug discovery. The bromine atom at the 2-position serves as an excellent leaving group, facilitating nucleophilic substitution reactions that can lead to diverse pharmacophores. Recent studies have demonstrated that derivatives of this compound exhibit potent biological activities, including anti-inflammatory, antitumor, and antimicrobial properties.

In addition to its role in pharmaceuticals, benzothiazole derivatives like CAS No: 628725-99-5 are being explored for their applications in optoelectronic materials. The aromaticity and conjugation within the benzothiazole ring contribute to its excellent optical properties, making it a candidate for use in organic light-emitting diodes (OLEDs) and photovoltaic devices. Researchers have reported that incorporating trifluoromethoxy groups into benzothiazole structures can enhance their stability and efficiency under operational conditions.

The synthesis of CAS No: 628725-99-5 involves multi-step processes that require precise control over reaction conditions to achieve desired stereochemistry and regioselectivity. Modern synthetic strategies often employ transition metal catalysts or microwave-assisted synthesis to streamline these processes. For example, palladium-catalyzed cross-coupling reactions have been successfully applied to construct the brominated benzothiazole framework efficiently.

From an environmental perspective, understanding the degradation pathways of CAS No: 628725-99-5 is crucial for assessing its potential impact on ecosystems. Recent studies have focused on identifying microbial degradation mechanisms and photodegradation kinetics under simulated environmental conditions. These investigations aim to ensure that the compound's use does not pose long-term risks to environmental health.

In conclusion, CAS No: 628725-99-5, or 2-Bromo-6-(trifluoromethoxy)benzothiazole, stands as a testament to the ingenuity of modern chemical synthesis and its wide-ranging applications across diverse scientific disciplines. As research continues to uncover new properties and uses for this compound, it is poised to play an increasingly important role in advancing both fundamental science and industrial innovation.

Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd