5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid | CAS No. 50638-08-9

5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid

Basic Information

CAS Number

50638-08-9

Molecular Formula

C10H7BrO3

Molecular Weight

255.07 g/mol

AD

Basic Physical Properties

Cc1c(oc2ccc(Br)cc12)C(=O)O

InChI

InChI=1S/C10H7BrO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)

InChIKey

XXPAQRBXERJCQH-UHFFFAOYSA-N

LogP

3.201920000000001

Topological Polar Surface Area

50.44 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

244

Synonyms & References

English

  • 5-Bromo-3-methylbenzofuran-2-carboxylic acid
  • 2-Benzofurancarboxylic acid, 5-bromo-3-methyl-
  • 5-bromo-3-methyl-1-benzofuran-2-carboxylic acid
  • 5-BROMO-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
  • 5-Brom-3-methyl-benzofuran-2-carbonsaeure
  • F2169-0499
  • methyl 5-bromobenzofuran-2-carboxylic acid
  • 5-bromo-3-methylbenzo[b]furan-2-carboxylic acid
  • SBB076121
  • STL217407
  • NE12683
  • SY045640
  • ST45240896
  • 3-Methyl-5-bromobenzofuran-2-carboxylic acid
  • 5-Bromo-3-methyl-2-benzofurancarboxylic acid
  • EN30
  • 5-bromo-3-methyl-benzofuran-2-carboxylic acid

MDL Number

MFCD03965820

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9)?

5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9) is a crystalline solid with a molecular weight of approximately 240.03 g/mol. It is slightly soluble in water and solvents like ethanol and acetonitrile. This compound exhibits good reactivity towards nucleophiles and can undergo esterification and amidation reactions. It is stable under standard laboratory conditions but may degrade under strong acidic or basic conditions.

How is 5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9) typically synthesized?

5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid is typically synthesized through the bromination of 3-methyl-1-benzofuran-2-carboxylic acid. The reaction involves the use of bromine in the presence of an appropriate base such as sodium hydride. The yield is usually high, and the reaction can be carried out in a solvent like THF or DMSO. Care should be taken to ensure selective bromination and to maintain the purity of the product.

What industries use 5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9)?

5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9) is used in various industries. In pharmaceuticals, it serves as a precursor for the synthesis of drugs. In the chemical industry, it is used in the production of functional polymers and sensors. Additionally, it finds applications in the development of semiconductors and as an intermediate in the manufacturing of certain chemical reagents.

What precautions should be taken when handling 5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9)?

When handling 5-Bromo-3-methyl-1-benzofuran-2-carboxylic acid (CAS: 50638-08-9), ensure proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, use appropriate spill cleanup materials and ensure proper disposal. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

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