Cas no 98555-49-8 (3-Bromo-4-hydroxy-5-nitrobenzaldehyde)

3-Bromo-4-hydroxy-5-nitrobenzaldehyde is a versatile aromatic aldehyde featuring multiple functional groups, including bromo, hydroxy, and nitro substituents. Its distinct molecular structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocycles and pharmaceuticals. The presence of both electron-withdrawing (nitro) and electron-donating (hydroxy) groups enhances its reactivity in electrophilic and nucleophilic substitution reactions. This compound is also useful in material science for designing functionalized polymers or ligands. High purity grades ensure consistent performance in research and industrial applications. Its stability under controlled conditions and well-documented reactivity profile further contribute to its utility in synthetic chemistry.
3-Bromo-4-hydroxy-5-nitrobenzaldehyde structure
98555-49-8 structure
Product Name:3-Bromo-4-hydroxy-5-nitrobenzaldehyde
CAS No:98555-49-8
MF:C7H4BrNO4
MW:246.014961242676
MDL:MFCD02629362
CID:877614
PubChem ID:1494378
Update Time:2025-06-29

3-Bromo-4-hydroxy-5-nitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-hydroxy-5-nitrobenzaldehyde
    • 3-bromo-4-hydroxy-5-nitro-benzaldehyde
    • 3-bromo-4-hydroxy-5-nitrobenzaldehyde(SALTDATA: FREE)
    • 5-Brom-3-nitro-4-hydroxybenzaldehyd
    • 5-bromo-4-hydroxy-3-nitrobenzaldehyde
    • SCHEMBL2512695
    • CHEMBRDG-BB 6625984
    • BS-36375
    • CS-0116836
    • QBGJRIICMHIJJR-UHFFFAOYSA-N
    • MFCD02629362
    • YDA55549
    • 98555-49-8
    • DTXSID70363477
    • AKOS000111457
    • DB-252374
    • STK397237
    • MDL: MFCD02629362
    • Inchi: 1S/C7H4BrNO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H
    • InChI Key: QBGJRIICMHIJJR-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C=O)=CC(=C1O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 244.93200
  • Monoisotopic Mass: 244.93237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 217
  • 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: 2.1
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • Density: 1.928
  • Boiling Point: 278.1°C at 760 mmHg
  • Flash Point: 122°C
  • Refractive Index: 1.696
  • PSA: 83.12000
  • LogP: 2.39860

3-Bromo-4-hydroxy-5-nitrobenzaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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Additional information on 3-Bromo-4-hydroxy-5-nitrobenzaldehyde

3-Bromo-4-hydroxy-5-nitrobenzaldehyde: A Comprehensive Overview

3-Bromo-4-hydroxy-5-nitrobenzaldehyde (CAS No. 98555-49-8) is a highly specialized organic compound with significant applications in various fields of chemistry and material science. This compound, characterized by its unique structure featuring a bromine atom, a hydroxyl group, and a nitro group attached to a benzaldehyde backbone, has garnered considerable attention due to its versatile properties and potential for advanced chemical synthesis.

The molecular structure of 3-Bromo-4-hydroxy-5-nitrobenzaldehyde is defined by the presence of three distinct substituents on the benzene ring: bromine at the 3-position, hydroxyl at the 4-position, and nitro at the 5-position. This arrangement creates a highly functionalized aromatic system, which is both chemically reactive and amenable to further modification. Recent studies have highlighted the importance of such multi-functionalized aromatic compounds in drug discovery and materials science.

One of the most notable aspects of 3-Bromo-4-hydroxy-5-nitrobenzaldehyde is its role as an intermediate in the synthesis of complex organic molecules. Researchers have utilized this compound as a starting material for constructing bioactive compounds with potential therapeutic applications. For instance, its ability to undergo nucleophilic aromatic substitution reactions has been exploited in the development of novel anti-tumor agents.

Moreover, 3-Bromo-4-hydroxy-5-nitrobenzaldehyde exhibits interesting electronic properties due to the electron-withdrawing effects of the nitro and bromine groups. These properties make it a valuable component in the design of advanced materials, such as conductive polymers and sensors. Recent advancements in nanotechnology have further expanded its utility, with studies demonstrating its potential as a building block for graphene-based materials.

In terms of synthesis, 3-Bromo-4-hydroxy-5-nitrobenzaldehyde can be prepared through various routes, including multi-step aromatic substitution reactions. The most efficient methods involve careful control of reaction conditions to ensure high yields and purity. Recent research has focused on optimizing these synthetic pathways using green chemistry principles, reducing environmental impact while maintaining product quality.

The physical properties of 3-Bromo-4-hydroxy-5-nitrobenzaldehyde, including its melting point, boiling point, and solubility characteristics, are well-documented. These properties are critical for its application in diverse chemical processes. For example, its high melting point makes it suitable for use in high-temperature applications, while its solubility in polar solvents facilitates its use in solution-based reactions.

From an environmental perspective, understanding the behavior of 3-Bromo-4-hydroxy-5-nitrobenzaldehyde in natural systems is essential for assessing its ecological impact. Studies have shown that this compound undergoes rapid degradation under certain environmental conditions, reducing its persistence in ecosystems. However, further research is needed to fully understand its long-term effects on aquatic and terrestrial environments.

In conclusion, 3-Bromo-4-hydroxy-5-nitrobenzaldehyde (CAS No. 98555-49-8) stands out as a versatile and valuable compound with wide-ranging applications across multiple disciplines. Its unique structure and functional groups make it an ideal candidate for advanced chemical synthesis and material development. As research continues to uncover new possibilities for this compound, its role in shaping future innovations in chemistry and materials science is likely to grow significantly.

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