Cas no 1020336-51-9 (3-Bromo-5-hydroxybenzyl alcohol)

3-Bromo-5-hydroxybenzyl alcohol is a brominated aromatic compound featuring both hydroxyl and hydroxymethyl functional groups, making it a versatile intermediate in organic synthesis. Its distinct structure allows for selective modifications, particularly in pharmaceutical and agrochemical applications. The presence of the bromine atom enhances reactivity in cross-coupling reactions, while the hydroxyl groups enable further derivatization, such as etherification or esterification. This compound is valued for its stability under standard conditions and its utility in constructing complex molecular frameworks. Its purity and well-defined reactivity profile make it suitable for research and industrial processes requiring precise functional group transformations.
3-Bromo-5-hydroxybenzyl alcohol structure
1020336-51-9 structure
Product Name:3-Bromo-5-hydroxybenzyl alcohol
CAS No:1020336-51-9
MF:C7H7BrO2
MW:203.033281564713
CID:2102806
PubChem ID:59496812
Update Time:2025-10-30

3-Bromo-5-hydroxybenzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-hydroxybenzyl alcohol
    • 3-Bromo-5-(hydroxymethyl)phenol
    • 3-Bromo-5-hydroxymethylphenol
    • 5-BROMO-3-HYDROXYBENZYL ALCOHOL
    • 3-Bromo-5-hydroxybenzenemethanol
    • DB-165557
    • 1020336-51-9
    • UUQASJNBXHBOSN-UHFFFAOYSA-N
    • C14009
    • DTXCID101731847
    • SCHEMBL200104
    • 108-006-6
    • CS-0119715
    • 3-Bromo-5-hydroxybenzenemethanol; 3-Bromo-5-hydroxybenzyl alcohol; 3-Bromo-5-hydroxymethylphenol
    • DTXSID301301763
    • 5-Bromo-3-hydroxybenzyl alcohol;3-Bromo-5-(hydroxymethyl)phenol
    • EN300-7176471
    • 3-Bromo-5-hydroxymethyl-phenol
    • FB67776
    • Inchi: 1S/C7H7BrO2/c8-6-1-5(4-9)2-7(10)3-6/h1-3,9-10H,4H2
    • InChI Key: UUQASJNBXHBOSN-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(CO)C=1)O

Computed Properties

  • Exact Mass: 201.96294Da
  • Monoisotopic Mass: 201.96294Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.722±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 348.4±27.0 °C at 760 mmHg
  • Flash Point: 164.5±23.7 °C
  • Solubility: Slightly soluble (20 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-Bromo-5-hydroxybenzyl alcohol Security Information

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Additional information on 3-Bromo-5-hydroxybenzyl alcohol

3-Bromo-5-Hydroxybenzyl Alcohol: A Comprehensive Overview

3-Bromo-5-hydroxybenzyl alcohol (CAS No. 1020336-51-9) is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound, also known as 5-hydroxy-3-bromobenzyl alcohol, has garnered attention due to its unique chemical properties and potential for further functionalization. Recent advancements in synthetic methodologies and its incorporation into advanced materials have underscored its importance in modern chemistry.

The molecular structure of 3-bromo-5-hydroxybenzyl alcohol consists of a benzene ring substituted with a bromine atom at the 3-position and a hydroxyl group at the 5-position, along with a hydroxymethyl group attached to the benzene ring. This arrangement imparts the compound with distinct electronic and steric properties, making it amenable to various chemical transformations. The presence of both bromine and hydroxyl groups introduces a level of complexity that allows for diverse reactivity, as demonstrated in recent studies on its use in click chemistry and Suzuki coupling reactions.

One of the most notable applications of 3-bromo-5-hydroxybenzyl alcohol is in the synthesis of bioactive molecules. Researchers have utilized this compound as a key intermediate in the development of novel antibiotics and anticancer agents. For instance, recent findings suggest that derivatives of 3-bromo-5-hydroxybenzyl alcohol exhibit potent inhibitory effects against certain enzymes involved in cancer cell proliferation. These studies highlight the potential of this compound in drug discovery pipelines.

In addition to its role in pharmaceuticals, 3-bromo-5-hydroxybenzyl alcohol has found utility in agrochemical research. Its ability to act as a precursor for herbicides and fungicides has been explored extensively. Recent advancements in green chemistry have led to the development of more sustainable synthesis routes for this compound, reducing environmental impact while maintaining high yields.

The synthesis of 3-bromo-5-hydroxybenzyl alcohol typically involves multi-step processes that require precise control over reaction conditions. Traditional methods often employ bromination followed by hydroxylation, but recent innovations have introduced more efficient protocols utilizing transition metal catalysts. These improvements not only enhance productivity but also align with current trends toward eco-friendly chemical synthesis.

From a materials science perspective, 3-bromo-5-hydroxybenzyl alcohol has been incorporated into polymer systems to impart specific functionalities such as improved conductivity or enhanced mechanical properties. Its ability to undergo polymerization under mild conditions makes it an attractive candidate for developing advanced materials for electronic applications.

In conclusion, 3-bromo-5-hydroxybenzyl alcohol (CAS No. 1020336-51-9) stands as a pivotal compound in contemporary chemistry due to its diverse applications and adaptability. As research continues to uncover new avenues for its use, this compound is poised to play an increasingly significant role in both academic and industrial settings.

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