CAS 99-58-1

3-Bromo-4-methoxybenzoic acid

Description:

3-Bromo-4-methoxybenzoic acid, with the CAS number 99-58-1, is an aromatic carboxylic acid characterized by the presence of a bromine atom and a methoxy group on a benzoic acid framework. This compound typically appears as a white to off-white crystalline solid. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The methoxy group enhances the electron-donating properties of the aromatic ring, affecting its reactivity in electrophilic aromatic substitution reactions. Additionally, 3-bromo-4-methoxybenzoic acid can serve as an important intermediate in the synthesis of various chemical compounds, making it valuable in research and industrial applications. As with many organic compounds, proper handling and safety precautions should be observed due to potential hazards associated with its chemical properties.

Formula: C₈H₇BrO₃

InChI: InChI=1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChI key: InChIKey=BBPZABXVRBFWGD-UHFFFAOYSA-N

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

Synonyms:

• 3-Bromo-4-Methoxybenzoate
• 3-Bromo-p-anisic acid
• 3-BromoAnisic acid
• Benzoic acid, 3-bromo-4-methoxy-
• p-Anisic acid, 3-bromo-
• 3-Bromo-4-methoxybenzoic acid

3-Bromo-4-methoxybenzoic Acid

CAS: 99-58-1

Formula: C₈H₇BrO₃

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 231.05

Ref: 3B-B3336

3-Bromo-4-methoxybenzoic acid, 98+%

CAS: 99-58-1

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: C₈H₇BrO₃

Purity: 98+%

Color and Shape: Powder or lumps, White

Molecular weight: 231.05

Ref: 02-A12653

3-Bromo-4-methoxybenzoic acid

CAS: 99-58-1

Formula: C₈H₇BrO₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 231.0434

Ref: IN-DA003J22

3-Bromo-4-methoxybenzoic acid

CAS: 99-58-1

3-Bromo-4-methoxybenzoic acid

Formula: C₈H₇BrO₃

Purity: ≥95%

Color and Shape: white powder

Molecular weight: 231.04g/mol

Ref: 54-OR4560

3-Bromo-4-methoxybenzoic acid

CAS: 99-58-1

Formula: C₈H₇BrO₃

Purity: ≥ 98.0%

Color and Shape: White to almost white powder or crystals

Molecular weight: 231.05

Ref: 7W-GK2668

3-Bromo-4-methoxybenzoic acid

CAS: 99-58-1

3-Bromo-4-methoxybenzoic acid is a methyl ester of 3-bromo-4-methoxybenzoic acid. It is used as a reagent in organic synthesis, including the hydrolysis of esters and nitriles to acids and amines respectively. The compound is also used in the synthesis of 3-bromo-4-methoxybenzamide and other bromomethyl benzoates. The trifluoroacetic acid reacts with cuprous cyanide to form ethyl formate and methoxybenzoate, which reacts with thionyl chloride to form the chloride 3-bromo-4-methoxybenzoic acid. This compound can be demethylated by acetaldehyde or alkali metal hydroxides to give methyl formate and methanol. It can also react with acetonitrile to produce 3,3′,3″

Formula: C₈H₇BrO₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 231.04 g/mol

Ref: 3D-FB55039

3-Bromo-4-methoxybenzoic acid

CAS: 99-58-1

Formula: C₈H₇BrO₃

Purity: 97%

Color and Shape: White crystalline powder

Molecular weight: 231.045

Ref: 10-F018288

3-Bromo-4-methoxybenzoic Acid

Controlled Product

CAS: 99-58-1

Applications 3-Bromo-4-methoxybenzoic acid is used as a reagent to prepare benzamide compounds that act as ABL1, ABL2, and BCR-ABL1 inhibitors for treating cancer and CNS disorders.
References Zheng, F., et al.: Molecules, 16, 4897 (2011)

Formula: C₈H₇BrO₃

Color and Shape: Neat

Molecular weight: 231.04

Ref: TR-B685235