Cas no 898748-23-7 (2-Bromo-6-(trifluoromethyl)benzodthiazole)

2-Bromo-6-(trifluoromethyl)benzothiazole is a halogenated benzothiazole derivative featuring both bromine and trifluoromethyl functional groups. This compound is valued in organic synthesis and pharmaceutical research for its versatility as a building block, particularly in the construction of heterocyclic frameworks. The presence of the bromine atom facilitates further functionalization via cross-coupling reactions, while the electron-withdrawing trifluoromethyl group enhances reactivity and stability. Its well-defined structure makes it suitable for applications in medicinal chemistry, agrochemical development, and materials science. The compound is typically handled under controlled conditions due to its reactivity, and its purity is critical for reproducible results in synthetic workflows.
2-Bromo-6-(trifluoromethyl)benzodthiazole structure
898748-23-7 structure
Product Name:2-Bromo-6-(trifluoromethyl)benzodthiazole
CAS No:898748-23-7
MF:C8H3BrF3NS
MW:282.080330133438
MDL:MFCD08459023
CID:828506
PubChem ID:24728953
Update Time:2025-10-15

2-Bromo-6-(trifluoromethyl)benzodthiazole Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-6-(trifluoromethyl)benzo[d]thiazole
    • 2-bromo-6-(trifluoromethyl)-1,3-benzothiazole
    • 2-Bromo-6-(trifluoromethyl)benzothiazole
    • 2-bromo-6-trifluoromethylbenzothiazole
    • 2-Bromo-6-(trifluoromethyl)benzothiazole (ACI)
    • EN300-7403810
    • 898748-23-7
    • AKOS015898614
    • MFCD08459023
    • S12157
    • 2-Bromo-6-trifluoromethyl-benzothiazole
    • AS-54566
    • SCHEMBL3075842
    • DTXSID70646595
    • DB-000838
    • RFNZUTHSKMWKOR-UHFFFAOYSA-N
    • 2-Bromo-6-(trifluoromethyl)benzodthiazole
    • MDL: MFCD08459023
    • Inchi: 1S/C8H3BrF3NS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H
    • InChI Key: RFNZUTHSKMWKOR-UHFFFAOYSA-N
    • SMILES: FC(C1C=C2C(N=C(S2)Br)=CC=1)(F)F

Computed Properties

  • Exact Mass: 280.91200
  • Monoisotopic Mass: 280.91217g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 4.3
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • Density: 1.808
  • PSA: 41.13000
  • LogP: 4.07760

2-Bromo-6-(trifluoromethyl)benzodthiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B816623-50mg
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7
50mg
$ 50.00 2022-06-06
TRC
B816623-100mg
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7
100mg
$ 95.00 2022-06-06
TRC
B816623-500mg
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7
500mg
$ 320.00 2022-06-06
Alichem
A059002841-1g
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7 95%
1g
$273.36 2023-08-31
Chemenu
CM155358-5g
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7 95%
5g
$800 2021-06-08
Chemenu
CM155358-250mg
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7 95%+
250mg
$*** 2023-05-29
Chemenu
CM155358-1g
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole
898748-23-7 95%+
1g
$*** 2023-05-29
abcr
AB496490-250 mg
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole; .
898748-23-7
250MG
€249.40 2023-04-19
abcr
AB496490-1 g
2-Bromo-6-(trifluoromethyl)benzo[d]thiazole; .
898748-23-7
1g
€546.70 2023-04-19
eNovation Chemicals LLC
Y0996765-5g
2-bromo-6-(trifluoromethyl)benzothiazole
898748-23-7 95%
5g
$700 2024-08-02

Additional information on 2-Bromo-6-(trifluoromethyl)benzodthiazole

2-Bromo-6-(Trifluoromethyl)Benzodthiazole: A Comprehensive Overview

The compound with CAS No. 898748-23-7, commonly referred to as 2-Bromo-6-(Trifluoromethyl)Benzodthiazole, has garnered significant attention in the field of organic chemistry and materials science. This molecule is a derivative of benzodthiazole, a heterocyclic compound with a fused benzene and thiazole ring system. The presence of a bromine atom at the 2-position and a trifluoromethyl group at the 6-position introduces unique electronic and steric properties, making it a valuable compound for various applications.

Benzodthiazole derivatives are known for their versatile reactivity and ability to participate in a wide range of chemical transformations. The bromine substituent at the 2-position enhances the molecule's electrophilic character, making it suitable for nucleophilic aromatic substitution reactions. On the other hand, the trifluoromethyl group at the 6-position introduces electron-withdrawing effects, which can modulate the electronic properties of the aromatic ring and influence reactivity in subsequent reactions.

Recent studies have highlighted the potential of 2-Bromo-6-(Trifluoromethyl)Benzodthiazole in drug discovery and materials science. In drug development, this compound has been explored as a building block for constructing bioactive molecules with specific pharmacological profiles. Its ability to undergo various coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, has made it a valuable intermediate in synthesizing complex heterocyclic frameworks.

In materials science, Benzodthiazole derivatives have been investigated for their potential as building blocks in organic electronics. The electron-withdrawing groups, such as the trifluoromethyl substituent, can tune the electronic properties of the material, making it suitable for applications in organic light-emitting diodes (OLEDs) and photovoltaic devices. Recent research has demonstrated that incorporating 2-Bromo-6-(Trifluoromethyl)Benzodthiazole into conjugated polymers can enhance charge transport properties and improve device performance.

The synthesis of 2-Bromo-6-(Trifluoromethyl)Benzodthiazole typically involves multi-step processes that combine aromatic substitution reactions with functional group transformations. One common approach involves the bromination of a precursor benzodthiazole derivative followed by subsequent fluorination to introduce the trifluoromethyl group. These steps require precise control over reaction conditions to ensure high yields and product purity.

From an analytical standpoint, this compound can be characterized using advanced spectroscopic techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and X-ray crystallography. These methods provide insights into its molecular structure, purity, and crystalline properties, which are critical for its application in various fields.

In conclusion, 2-Bromo-6-(Trifluoromethyl)Benzodthiazole is a versatile compound with promising applications in drug discovery and materials science. Its unique electronic properties and reactivity make it an attractive candidate for constructing complex molecular frameworks. As research continues to uncover new potential uses for this compound, its role in advancing organic chemistry and related fields is expected to grow significantly.

Recommended suppliers
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd