Cas no 790230-04-5 (4-Bromo-3-(hydroxymethyl)benzoic acid)

4-Bromo-3-(hydroxymethyl)benzoic acid is a brominated aromatic compound featuring both a hydroxymethyl and a carboxylic acid functional group. This structure makes it a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of the hydroxymethyl group allows for further derivatization, while the carboxylic acid enables coupling reactions or salt formation. The bromine substituent offers a reactive site for cross-coupling reactions, such as Suzuki or Heck reactions, enhancing its utility in constructing complex molecules. Its well-defined reactivity and stability under standard conditions make it a reliable building block for research and industrial processes.
4-Bromo-3-(hydroxymethyl)benzoic acid structure
790230-04-5 structure
Product Name:4-Bromo-3-(hydroxymethyl)benzoic acid
CAS No:790230-04-5
MF:C8H7BrO3
MW:231.043381929398
MDL:MFCD16249537
CID:1036543
Update Time:2025-11-02

4-Bromo-3-(hydroxymethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-(hydroxymethyl)benzoic acid
    • ZKHGQEFOBYVUFQ-UHFFFAOYSA-N
    • 2357AC
    • FCH1396247
    • AX8250459
    • AB0000274
    • ST2401881
    • 4-Bromo-3-(hydroxymethyl)benzoic acid (ACI)
    • MDL: MFCD16249537
    • Inchi: 1S/C8H7BrO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12)
    • InChI Key: ZKHGQEFOBYVUFQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(CO)C(Br)=CC=1)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Topological Polar Surface Area: 57.5

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4-Bromo-3-(hydroxymethyl)benzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Tetrahydrofuran ;  5 h, 0 °C
Reference
A spontaneously blinking fluorophore based on intramolecular spirocyclization for live-cell super-resolution imaging
Uno, Shin-nosuke; Kamiya, Mako; Yoshihara, Toshitada; Sugawara, Ko; Okabe, Kohki; et al, Nature Chemistry, 2014, 6(8), 681-689

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Water ;  rt → 70 °C; 2 h, 70 °C
Reference
Descriptor ΔGC-O Enables the Quantitative Design of Spontaneously Blinking Rhodamines for Live-Cell Super-Resolution Imaging
Chi, Weijie; Qiao, Qinglong; Wang, Chao; Zheng, Jiazhu; Zhou, Wei; et al, Angewandte Chemie, 2020, 59(45), 20215-20223

4-Bromo-3-(hydroxymethyl)benzoic acid Raw materials

4-Bromo-3-(hydroxymethyl)benzoic acid Preparation Products

4-Bromo-3-(hydroxymethyl)benzoic acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:790230-04-5)4-Bromo-3-(hydroxymethyl)benzoic acid
Order Number:A864943
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:49
Price ($):284.0/995.0

Additional information on 4-Bromo-3-(hydroxymethyl)benzoic acid

4-Bromo-3-(hydroxymethyl)benzoic Acid (CAS No. 790230-04-5): Properties, Applications, and Market Insights

4-Bromo-3-(hydroxymethyl)benzoic acid (CAS No. 790230-04-5) is a versatile organic compound that has garnered significant attention in pharmaceutical and chemical research. This brominated benzoic acid derivative is characterized by its unique molecular structure, which includes a hydroxymethyl group and a bromo substituent on the aromatic ring. Its chemical formula is C8H7BrO3, and it is widely used as a building block in synthetic chemistry.

The compound's physical and chemical properties make it highly valuable in various applications. It typically appears as a white to off-white crystalline powder with a molecular weight of 231.04 g/mol. The presence of both the carboxylic acid and hydroxymethyl functional groups allows for diverse chemical modifications, making it a crucial intermediate in organic synthesis. Researchers often utilize 4-Bromo-3-(hydroxymethyl)benzoic acid in the development of novel pharmaceutical compounds, particularly in the synthesis of active pharmaceutical ingredients (APIs).

One of the most prominent applications of 4-Bromo-3-(hydroxymethyl)benzoic acid is in the field of medicinal chemistry. Its structural features enable it to serve as a precursor in the synthesis of various biologically active molecules. Recent studies have explored its potential in designing enzyme inhibitors and receptor modulators, which are critical in drug discovery programs targeting chronic diseases. The compound's ability to undergo selective functionalization makes it particularly useful in creating targeted therapies.

In addition to pharmaceutical applications, 4-Bromo-3-(hydroxymethyl)benzoic acid finds use in material science and agrochemical research. Its incorporation into polymer matrices can enhance material properties, while its derivatives have shown promise in developing new crop protection agents. The compound's stability and reactivity profile make it a preferred choice for researchers working on advanced materials and sustainable agricultural solutions.

The global market for 4-Bromo-3-(hydroxymethyl)benzoic acid has seen steady growth, driven by increasing demand from the pharmaceutical and specialty chemicals sectors. Manufacturers are focusing on developing efficient synthesis routes to meet the rising requirements of research institutions and industrial laboratories. Quality control measures, including HPLC and NMR analysis, ensure the compound meets the stringent purity standards required for high-end applications.

Recent advancements in green chemistry have also influenced the production processes of 4-Bromo-3-(hydroxymethyl)benzoic acid. Researchers are exploring eco-friendly synthetic methods that reduce waste and energy consumption while maintaining high yields. These developments align with the growing emphasis on sustainable practices in the chemical industry, addressing concerns about environmental impact and resource efficiency.

For researchers working with 4-Bromo-3-(hydroxymethyl)benzoic acid, proper handling and storage are essential to maintain its stability. The compound should be stored in a cool, dry place, protected from light and moisture. While it is not classified as hazardous under standard conditions, appropriate laboratory safety protocols should always be followed when handling chemical substances.

The future outlook for 4-Bromo-3-(hydroxymethyl)benzoic acid remains positive, with ongoing research uncovering new potential applications. Its role in developing innovative therapeutic agents and functional materials continues to expand, making it a compound of significant interest across multiple scientific disciplines. As synthetic methodologies advance and analytical techniques improve, we can expect to see broader utilization of this versatile chemical building block.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:790230-04-5)4-Bromo-3-(hydroxymethyl)benzoic acid
A864943
Purity:99%/99%
Quantity:5g/25g
Price ($):284.0/995.0
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