3-Bromo-2-fluorobenzoic acid
[CAS# 161957-56-8]

Identification

• Classification: Organic raw materials >> Organic fluorine compound >> Fluorobenzoic acid series
• Name: 3-Bromo-2-fluorobenzoic acid
• Molecular Formula: C₇H₄BrFO₂
• Molecular Weight: 219.01
• CAS Registry Number: 161957-56-8
• EC Number: 630-302-3
• SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)O

Properties

• Density: 1.8±0.1 g/cm³, Calc.^*
• Melting point: 168-170 ºC (Expl.)
• Index of Refraction: 1.583, Calc.^*
• Boiling Point: 298.2±25.0 ºC (760 mmHg), Calc.^*
• Flash Point: 134.1±23.2 ºC, Calc.^*

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2	H319
Eye irritation	Eye Irrit.	2A	H319

Discovory and Applicatios

3-Bromo-2-fluorobenzoic acid is a chemical compound that belongs to the class of substituted benzoic acids, containing both a bromine and a fluorine atom attached to the benzene ring. It is synthesized by halogenation of 2-fluorobenzoic acid, typically via selective electrophilic aromatic substitution reactions. This compound has attracted attention in various fields due to its reactivity and functional group properties, which make it a valuable intermediate in organic synthesis.

The compound is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. The presence of the bromine and fluorine atoms, both of which are highly electronegative, contributes to its chemical stability and reactivity in synthetic reactions. These atoms can direct reactions to specific positions on the aromatic ring, which is particularly useful in the design of molecules with complex structures for medicinal and industrial applications.

In the pharmaceutical industry, 3-bromo-2-fluorobenzoic acid is used as a key building block in the synthesis of biologically active compounds. It serves as a precursor to other benzoic acid derivatives, which have demonstrated activity against various biological targets. The compound’s halogen substituents, bromine and fluorine, contribute to the pharmacological properties of the resulting compounds by influencing factors such as lipophilicity, bioavailability, and interaction with cellular targets.

Furthermore, 3-bromo-2-fluorobenzoic acid is also employed in the preparation of materials and chemicals used in electronics and other high-tech applications. The ability of the fluorine and bromine atoms to enhance the molecular structure’s stability and reactivity makes this compound useful in the creation of specialized chemical reagents and intermediates that are integral to various industrial processes.

In summary, 3-bromo-2-fluorobenzoic acid is an important chemical intermediate used in the synthesis of pharmaceutical compounds and industrial materials. Its role in the development of bioactive molecules and specialized reagents underscores its significance in the field of organic chemistry.