Benzothiazole, 2-chloro-4,6-difluoro-


Chemical Name: Benzothiazole, 2-chloro-4,6-difluoro-
CAS Number: 252681-57-5
Product Number: AG007NUS(AGN-PC-0KBJMO)
Synonyms:
MDL No:
Molecular Formula: C7H2ClF2NS
Molecular Weight: 205.6123

Identification/Properties


Computed Properties
Molecular Weight:
205.607g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
204.956g/mol
Monoisotopic Mass:
204.956g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-Chloro-4,6-difluorobenzothiazole is a versatile compound widely used in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique structure and reactivity.In chemical synthesis, 2-Chloro-4,6-difluorobenzothiazole is often employed as a key intermediate in the production of heterocyclic compounds. Its fluorine-substituted benzothiazole ring provides a platform for further functionalization, allowing for the introduction of various substituents to tailor the properties of the final product. This flexibility makes it an essential component in the synthesis of complex organic molecules with diverse applications.Furthermore, the presence of the chloro group in 2-Chloro-4,6-difluorobenzothiazole enhances its reactivity and compatibility with a wide range of reaction conditions. This facilitates its use in multistep synthesis processes, where it can participate in diverse chemical transformations to yield structurally intricate compounds.Overall, 2-Chloro-4,6-difluorobenzothiazole plays a crucial role in chemical synthesis by enabling the efficient construction of novel molecules with potential applications in pharmaceuticals, agrochemicals, and materials science. Its versatility and reactivity make it a valuable tool for organic chemists seeking to develop innovative compounds with tailored properties.