4-Bromo-2-formylbenzoic acid

Basic Information

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CAS Number

871502-87-3

Molecular Formula

C8H5BrO3

Molecular Weight

229.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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OC(=O)c1ccc(Br)cc1C=O

InChI

InChI=1S/C8H5BrO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4H,(H,11,12)

InChIKey

GHVFFWJIPXPVBE-UHFFFAOYSA-N

LogP

1.9598

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

Benzoic acid, 4-bromo-2-formyl-
4-BROMO-2-FORMYLBENZOIC ACID
4-bromo-2-formylbenzoic acid

MDL Number

MFCD11036374

FAQ

What are the physical and chemical properties of 4-Bromo-2-formylbenzoic acid (CAS: 871502-87-3)?

4-Bromo-2-formylbenzoic acid is a white crystalline solid with a molecular weight of approximately 229.03 g/mol. It is poorly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and reducing agents. The compound shows carboxylic acid and aldehyde functionalities, making it susceptible to esterification, amide formation, and reduction reactions.

How is 4-Bromo-2-formylbenzoic acid (CAS: 871502-87-3) typically synthesized?

4-Bromo-2-formylbenzoic acid is typically synthesized through the bromination of 2-formylbenzoic acid followed by a protective group modification if necessary. Common methods include using bromine in the presence of a suitable solvent like dichloromethane. The reaction yields a bromo derivative, which can be further functionalized as required. This synthesis involves careful control of reaction conditions to achieve the desired selectivity and yield.

What industries use 4-Bromo-2-formylbenzoic acid (CAS: 871502-87-3)?

4-Bromo-2-formylbenzoic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates due to its functional groups. It also finds applications in the polymer industry for the development of specific monomers. In the semiconductor industry, it can be used in the synthesis of photoresists and other materials. Additionally, it has potential use in the sensing applications where its chemical reactivity can be exploited.

What precautions should be taken when handling 4-Bromo-2-formylbenzoic acid (CAS: 871502-87-3)?

When handling 4-Bromo-2-formylbenzoic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Due to its reactivity, it should be used in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.