Benzoic acid, 2-fluoro-4-(hydroxymethyl)-


Chemical Name: Benzoic acid, 2-fluoro-4-(hydroxymethyl)-
CAS Number: 214554-18-4
Product Number: AG003H93(AGN-PC-0MTMED)
Synonyms:
MDL No:
Molecular Formula: C8H7FO3
Molecular Weight: 170.1377832

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
170.139g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
170.038g/mol
Monoisotopic Mass:
170.038g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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


Other Analytical Data


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Chemical Structure



2-Fluoro-4-(hydroxymethyl)benzoic acid is a crucial building block in chemical synthesis due to its unique properties and versatility. With its fluoro and hydroxymethyl functional groups, this compound is frequently employed in the creation of various pharmaceuticals, agrochemicals, and materials.One of the significant applications of 2-Fluoro-4-(hydroxymethyl)benzoic acid lies in its role as a key intermediate in the synthesis of biologically active compounds. By using this compound as a starting material, chemists can access a wide range of derivatives through functional group transformations, such as esterification, amidation, and cyclization reactions. These derivatives often exhibit enhanced pharmacological or biological activities compared to the parent compound, making 2-Fluoro-4-(hydroxymethyl)benzoic acid a valuable tool in drug discovery and development.Furthermore, the presence of a fluoro substituent in 2-Fluoro-4-(hydroxymethyl)benzoic acid offers opportunities for introducing fluorine atoms into complex molecules. Fluorine is known for its unique effects on the physicochemical properties of organic compounds, such as increased metabolic stability, improved bioavailability, and altered binding interactions with biological targets. Therefore, incorporating fluorine-containing moieties derived from 2-Fluoro-4-(hydroxymethyl)benzoic acid can lead to the development of novel compounds with enhanced therapeutic potential.Overall, the strategic use of 2-Fluoro-4-(hydroxymethyl)benzoic acid in chemical synthesis enables chemists to access diverse molecular architectures and functional groups, facilitating the discovery of new drugs, pesticides, and materials with improved properties and activities.