methyl 2,6-difluoro-3-hydroxybenzoate


Chemical Name: methyl 2,6-difluoro-3-hydroxybenzoate
CAS Number: 1214332-41-8
Product Number: AG0014TB(AGN-PC-07QVBV)
Synonyms:
MDL No:
Molecular Formula: C8H6F2O3
Molecular Weight: 188.1282

Identification/Properties


Computed Properties
Molecular Weight:
188.13g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
188.029g/mol
Monoisotopic Mass:
188.029g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2,6-difluoro-3-hydroxybenzoate is a versatile compound commonly used in chemical synthesis for its unique properties and applications. This compound plays a crucial role in the development of various pharmaceuticals, agrochemicals, and other fine chemicals due to its specific structural characteristics. Its fluorinated and hydroxyl functional groups make it a valuable building block in the synthesis of complex organic molecules. In chemical synthesis, Methyl 2,6-difluoro-3-hydroxybenzoate can serve as a key intermediate in the production of fluorinated pharmaceuticals. The presence of fluorine atoms in its structure imparts desirable properties such as increased metabolic stability and enhanced bioavailability in drug molecules. Its hydroxyl group also offers opportunities for further chemical modifications, enabling the synthesis of a wide range of derivatives with tailored properties.Moreover, the compound's compatibility with various synthetic routes and functional group transformations makes it a valuable tool in the construction of molecular scaffolds for drug discovery and development. By incorporating Methyl 2,6-difluoro-3-hydroxybenzoate into synthetic pathways, chemists can access diverse chemical space and expedite the creation of novel bioactive compounds with potential therapeutic benefits.