CAS 451-02-5

Benzoic acid, 3-fluoro-, ethyl ester

Description:

Benzoic acid, 3-fluoro-, ethyl ester, with the CAS number 451-02-5, is an organic compound characterized by its ester functional group derived from benzoic acid and ethanol. This compound features a fluoro substituent at the meta position of the benzene ring, which can influence its chemical reactivity and physical properties. Typically, esters like this one are known for their pleasant, fruity odors and are often used in flavoring and fragrance applications. The presence of the fluorine atom can enhance the compound's lipophilicity and may affect its solubility in various solvents. In terms of stability, benzoic acid derivatives generally exhibit good thermal stability, although the presence of the fluorine atom may introduce unique reactivity patterns, particularly in nucleophilic substitution reactions. Additionally, this compound may have applications in pharmaceuticals and agrochemicals, where the modification of the benzoic acid structure can lead to enhanced biological activity. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₉H₉FO₂

InChI: InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChI key: InChIKey=SMMIKBXLEWTSJD-UHFFFAOYSA-N

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

Synonyms:

• 2,2,3,3,3-Pentafluoropropyl 2-Methylprop-2-Enoate
• Benzoic acid, 3-fluoro-, ethyl ester
• Benzoic acid, m-fluoro-, ethyl ester
• Ethyl 3-fluorobenzoate
• Ethyl m-fluorobenzoate
• 3-Fluorobenzoic acid ethyl ester

Ethyl 3-fluorobenzoate, 98+%

CAS: 451-02-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₉H₉FO₂

Purity: 98+%

Color and Shape: Clear colorless, Liquid

Molecular weight: 168.17

Ref: 02-L07984

Ethyl 3-fluorobenzoate

CAS: 451-02-5

Formula: C₉H₉FO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 168.1650

Ref: IN-DA0038PZ

Ethyl 3-fluorobenzoate

CAS: 451-02-5

Ethyl 3-fluorobenzoate

Formula: C₉H₉FO₂

Purity: 98%

Color and Shape: clear. colourless liquid

Molecular weight: 168.16g/mol

Ref: 54-PC3220

Ethyl 3-Fluorobenzoate

CAS: 451-02-5

Formula: C₉H₉FO₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 168.17

Ref: 3B-E0861

Ethyl 3-fluorobenzoate

CAS: 451-02-5

Purity: 98%

Molecular weight: 168.17

Ref: 10-F791636