2-Bromo-6-fluoro-4-methylbenzoic acid

Basic Information

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CAS Number

1427327-66-9

Molecular Formula

C8H6BrFO2

Molecular Weight

233.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Cc1cc(F)c(C(=O)O)c(Br)c1

InChI

InChI=1S/C8H6BrFO2/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12)

InChIKey

RYGYAJDEBNPLCW-UHFFFAOYSA-N

LogP

2.5948200000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

186

Synonyms & References

English

2-Bromo-6-fluoro-4-methylbenzoic acid
CHC32766
CL9465
A929646
2-bromo-6-fluoro-4-methylbenzoic acid

MDL Number

MFCD23712068

FAQ

What are the physical and chemical properties of 2-Bromo-6-fluoro-4-methylbenzoic acid (CAS: 1427327-66-9)?

2-Bromo-6-fluoro-4-methylbenzoic acid (CAS 1427327-66-9) is a crystalline solid with a molecular weight of approximately 250.03 g/mol. It has a solubility of about 0.1 g/L in water and is slightly soluble in ethanol. The compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Bromo-6-fluoro-4-methylbenzoic acid (CAS: 1427327-66-9) typically synthesized?

2-Bromo-6-fluoro-4-methylbenzoic acid can be synthesized through the bromination of 6-fluoro-4-methylbenzoic acid. This typically involves treating 6-fluoro-4-methylbenzoic acid with a brominating agent like N-bromosuccinimide (NBS) in the presence of a peroxide, such as benzoyl peroxide, under UV light. The yield is usually around 70-80%, with good selectivity towards the bromination reaction.

What industries use 2-Bromo-6-fluoro-4-methylbenzoic acid (CAS: 1427327-66-9)?

2-Bromo-6-fluoro-4-methylbenzoic acid (CAS 1427327-66-9) is used in the pharmaceutical industry for the synthesis of certain organic compounds. Its derivatives may find applications in the development of new drugs. Additionally, it can be used in the production of certain polymers and as an intermediate in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Bromo-6-fluoro-4-methylbenzoic acid (CAS: 1427327-66-9)?

When handling 2-Bromo-6-fluoro-4-methylbenzoic acid (CAS 1427327-66-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up promptly using appropriate absorbents. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.