Benzoic acid, 3-(2-thiazolyl)-


Chemical Name: Benzoic acid, 3-(2-thiazolyl)-
CAS Number: 847956-27-8
Product Number: AG004OJZ(AGN-PC-035G4A)
Synonyms:
MDL No:
Molecular Formula: C10H7NO2S
Molecular Weight: 205.2331

Identification/Properties


Properties
MP:
160.5 °C
BP:
423.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
205.231g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
205.02g/mol
Monoisotopic Mass:
205.02g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(1,3-Thiazol-2-yl)benzoic acid serves as a versatile building block in chemical synthesis due to its unique structural and chemical properties. This compound plays a crucial role in the production of various pharmaceuticals, agrochemicals, and functional materials. 1. Pharmaceutical Synthesis: In the field of pharmaceutical synthesis, 3-(1,3-Thiazol-2-yl)benzoic acid is commonly used as a key intermediate in the preparation of bioactive compounds and drug candidates. Its thiazole and benzoic acid moieties provide a solid foundation for creating molecules with diverse pharmacological activities. By incorporating this compound into the synthesis process, chemists can access a wide range of potential drug candidates targeting various diseases and medical conditions.2. Agrochemical Development: The application of 3-(1,3-Thiazol-2-yl)benzoic acid extends to the realm of agrochemical development, where it serves as a crucial precursor for synthesizing pesticides, herbicides, and fungicides. The thiazole ring in the molecule imparts beneficial properties that enhance the bioactivity and efficacy of these agricultural chemicals. By utilizing this compound in the design and synthesis of agrochemicals, researchers can develop potent solutions for pest control, weed management, and crop protection.3. Material Science: In the field of material science, 3-(1,3-Thiazol-2-yl)benzoic acid offers valuable opportunities for creating functional materials with tailored properties. Its chemical structure allows for the modification and functionalization of surfaces, polymers, and other materials to impart specific characteristics such as adhesion, conductivity, or optical properties. By incorporating this compound into material synthesis processes, scientists can engineer innovative materials for diverse applications ranging from electronics to coatings.Overall, the versatility of 3-(1,3-Thiazol-2-yl)benzoic acid in chemical synthesis makes it a valuable tool for researchers and chemists across various industries, enabling the development of novel compounds with specialized functions and applications.