CAS 457-45-4

α-Fluorobenzenepropanoic acid

Description:

α-Fluorobenzenepropanoic acid, with the CAS number 457-45-4, is an organic compound characterized by the presence of a fluorine atom attached to a benzene ring and a propanoic acid functional group. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities. The fluorine substitution can influence its reactivity, polarity, and solubility in various solvents. Generally, α-fluorinated compounds can exhibit altered biological activity and chemical behavior compared to their non-fluorinated counterparts, making them of interest in medicinal chemistry and material science. The presence of the carboxylic acid group contributes to its acidity and potential for hydrogen bonding, which can affect its interactions in biological systems. Additionally, the compound may be used as an intermediate in the synthesis of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as fluorinated compounds can pose specific health and environmental risks.

Formula: C₉H₉FO₂

InChI: InChI=1S/C9H9FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)

InChI key: InChIKey=SFJKLGCBWSLDGQ-UHFFFAOYSA-N

SMILES: C(C(C(O)=O)F)C1=CC=CC=C1

Synonyms:

• NSC 84357
• α-Fluorobenzenepropanoic acid
• Hydrocinnamic acid, α-fluoro-
• 2-Fluoro-3-phenylpropanoic acid
• Benzenepropanoic acid, α-fluoro-

2-Fluoro-3-phenylpropanoic acid

CAS: 457-45-4

Versatile small molecule scaffold

Formula: C₉H₉FO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 168.16 g/mol

Ref: 3D-AAA45745