Description

2-Bromo-5-hydroxy-4-methoxybenzoic acid (CAS No. 121936-68-3) is a high-purity organic compound with the molecular formula C₈H₇BrO₄, designed for advanced research and industrial applications. This finely synthesized benzoic acid derivative features a bromo substitution at the 2-position, a hydroxy group at the 5-position, and a methoxy group at the 4-position, offering versatile reactivity for pharmaceutical, agrochemical, and material science research. With a molecular weight of 247.04 g/mol, this compound is provided as a crystalline solid with >95% purity (HPLC), ensuring optimal performance in synthetic pathways. It is ideal for use as an intermediate in drug discovery, ligand synthesis, and specialty chemical manufacturing. Each batch undergoes rigorous QC testing (NMR, MS, HPLC) to guarantee consistency and reliability for demanding laboratory applications.

Properties

• CAS Number: 121936-68-3
• Complexity: 197
• IUPAC Name: 2-bromo-5-hydroxy-4-methoxy-benzoic acid
• InChI: InChI=1S/C8H7BrO4/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12)
• InChI Key: QOHWIPQTBHQOQW-UHFFFAOYSA-N
• Exact Mass: 245.95277
• Molecular Formula: C8H7BrO4
• Molecular Weight: 247.04
• SMILES: COC1=C(C=C(C(=C1)Br)C(=O)O)O
• Topological: 66.8
• Monoisotopic Mass: 245.95277
• Synonyms: 2-BROMO-5-HYDROXY-4-METHOXYBENZOIC ACID, 121936-68-3, 2-Amino-3-difluoromethoxy-5-bromopyridine, Benzoic acid, 2-bromo-5-hydroxy-4-methoxy-, MFCD16659606, SCHEMBL2157945, QOHWIPQTBHQOQW-UHFFFAOYSA-N, BCP28206, AKOS016009644, CS-W007036, DS-11546, SY023187, 2-bromo-5-hydroxy-4-methoxy benzoic acid, DB-061996, 2-BROMO-5-HYDROXY-4-METHOXYBENZOICACID, A10677

This compound serves as a key intermediate in the synthesis of bioactive molecules and pharmaceutical agents. Researchers utilize it in medicinal chemistry for developing novel brominated aromatic scaffolds. The presence of multiple functional groups makes it valuable for cross-coupling reactions and as a building block in heterocyclic chemistry. It is also employed in material science for creating specialized polymers and coatings.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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