CAS 619-42-1

Methyl 4-bromobenzoate

Description:

Methyl 4-bromobenzoate is an organic compound with the molecular formula C9H9BrO2. It is classified as an aromatic ester, derived from the reaction of 4-bromobenzoic acid and methanol. This compound typically appears as a colorless to pale yellow liquid with a sweet, floral odor. Methyl 4-bromobenzoate is known for its moderate solubility in organic solvents such as ethanol and ether, while being less soluble in water due to its hydrophobic aromatic structure. It is primarily used in organic synthesis, serving as an intermediate in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. The presence of the bromine atom enhances its reactivity, making it a useful building block for further chemical transformations. Additionally, it is important to handle this compound with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken during its use in laboratory settings.

Formula: C₈H₇BrO₂

InChI: InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChI key: InChIKey=CZNGTXVOZOWWKM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC=C(Br)C=C1

Synonyms:

• 1-Bromo-4-(methoxycarbonyl)benzene
• 4-Bromobenzoic Acid Methyl Ester
• 4-Methoxycarbonyl-1-bromobenzene
• 4-Methoxycarbonylphenyl bromide
• Benzoic acid, 4-bromo-, methyl ester
• Benzoic acid, p-bromo-, methyl ester
• Methyl p-bromobenzoate
• NSC 9392
• p-Bromobenzoic acid methyl ester
• Methyl-4-bromobenzoate
• Methyl 4-bromobenzoate

Methyl 4-Bromobenzoate

CAS: 619-42-1

Formula: C₈H₇BrO₂

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 215.05

Ref: 3B-B0556

Methyl 4-bromobenzoate, 98+%

CAS: 619-42-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₇BrO₂

Purity: 98+%

Color and Shape: White to cream to pale gray, Crystals or powder or crystalline powder

Molecular weight: 215.05

Ref: 02-A15517

Methyl 4-bromobenzoate

CAS: 619-42-1

Formula: C₈H₇BrO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 215.0440

Ref: IN-DA00357E

Methyl 4-bromobenzoate, min. 99% GC / min. 98% HPLC

CAS: 619-42-1

Formula: BrC₆H₄CO₂CH₃

Purity: min. 99% GC / min. 98% HPLC

Color and Shape: White to light-brown solid

Molecular weight: 215.04

Ref: 08-06-0042

Methyl 4-bromobenzoate

CAS: 619-42-1

Methyl 4-bromobenzoate

Formula: C₈H₇BrO₂

Purity: 98%

Color and Shape: white solid

Molecular weight: 215.04g/mol

Ref: 54-OR110414

4-Bromobenzoic Acid Methyl Ester

CAS: 619-42-1

Applications 4-Bromobenzoic Acid Methyl Ester is halogenated benzoate used as a reagent in organic synthesis. 4-Bromobenzoic Acid Methyl Ester can be used to stimulate microbial dechlorination of PCBs. 4-Bromobenzoic Acid Methyl Ester is also used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.
References Wilbur, D.S. et al.: J. Nuclear Med., 30, 216 (1989); DeWeerd, K.A. et al.: Environ. Sci. Technol., 33, 2057 (1999);

Formula: C₈H₇BrO₂

Color and Shape: Off-White

Molecular weight: 215.04

Ref: TR-B680245

Methyl 4-bromobenzoate

CAS: 619-42-1

Methyl 4-bromobenzoate is a molecule that has been synthesized by the reaction of bromine with methyl benzoate, which is catalyzed by palladium. This compound is soluble and can be analyzed using phase chromatography. Methyl 4-bromobenzoate has been used in the synthesis of pemetrexed, an antifolate drug used to treat cancer. The chloride ion is a product of this reaction, as well as sodium chloride. Cross-coupling reactions are also possible when methyl 4-bromobenzoate reacts with organometallic compounds such as rhodium. The calcium carbonate may be used to remove the chloride ion from the reaction mixture or to precipitate out any other organic products that are soluble in water.

Formula: C₈H₇BrO₂

Purity: Min. 98.5%

Molecular weight: 215.04 g/mol

Ref: 3D-FM36904

Methyl 4-bromobenzoate

CAS: 619-42-1

Formula: C₈H₇BrO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 215.046

Ref: 10-F078890

Methyl 4-bromobenzoate

CAS: 619-42-1

Formula: BrC₆H₄CO₂CH₃

Purity: 99.0 min. % GC/98.0 min. % HPLC

Color and Shape: White to light-brown solid

Molecular weight: 215.04

Ref: 08-M046