4-Bromo(~2~H_4_)benzoic acid

Basic Information

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CAS Number

787624-24-2

Molecular Formula

C7HD4BrO2

Molecular Weight

201.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C(=O)O)Br

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D

InChIKey

TUXYZHVUPGXXQG-RHQRLBAQSA-N

LogP

2.1473

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

128

Synonyms & References

English

4-Bromobenzoic-d4?Acid
4-Bromobenzoic Acid-d4
4-BROMOBENZOIC-D4 ACID
4-Bromobenzoic-d4acid
4-Bromo-2,3,5,6-tetradeuteriobenzoic acid
4-Bromobenzoic acid-d

MDL Number

MFCD06658868

FAQ

What are the physical and chemical properties of 4-Bromo(2H-4-)benzoic acid (CAS: 787624-24-2)?

4-Bromo(2H-4-)benzoic acid is a white crystalline solid with a molecular weight of approximately 211.03 g/mol. It has a pKa of about 4.25 and is slightly soluble in water (0.16 g/100 mL at 20°C). The compound is reactive towards bases and can undergo substitution reactions. It is also sensitive to light and air oxidation.

How is 4-Bromo(2H-4-)benzoic acid (CAS: 787624-24-2) typically synthesized?

4-Bromo(2H-4-)benzoic acid is typically synthesized by bromination of benzoic acid with bromine in the presence of a base such as sodium hydroxide. The reaction is carried out in a water/solvent mixture like water/methanol. The yield is around 70-80%, and the product is purified by recrystallization from an appropriate solvent.

What industries use 4-Bromo(2H-4-)benzoic acid (CAS: 787624-24-2)?

4-Bromo(2H-4-)benzoic acid is primarily used in the pharmaceutical industry for the synthesis of intermediates and drug candidates. It also finds applications in the polymer industry as a stabilizer and in the development of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling 4-Bromo(2H-4-)benzoic acid (CAS: 787624-24-2)?

When handling 4-Bromo(2H-4-)benzoic acid, wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Work in a fume hood to avoid inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, contain it with appropriate absorbent material and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.