Cas no 116632-23-6 (3-Bromo-5-nitrophenol)

3-Bromo-5-nitrophenol (CAS: 585-79-5) is a halogenated nitrophenol derivative with the molecular formula C6H4BrNO3. This compound features a bromine substituent at the 3-position and a nitro group at the 5-position of the phenol ring, imparting distinct electronic and steric properties. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both bromo and nitro groups enhances its reactivity in electrophilic and nucleophilic substitution reactions, facilitating further functionalization. Its high purity and stability under controlled conditions make it suitable for precision applications in research and industrial processes. The compound's structural features also contribute to its utility in coordination chemistry and as a precursor for advanced heterocyclic compounds.
3-Bromo-5-nitrophenol structure
3-Bromo-5-nitrophenol structure
Product Name:3-Bromo-5-nitrophenol
CAS No:116632-23-6
MF:C6H4BrNO3
MW:218.004860877991
MDL:MFCD09965960
CID:97228
PubChem ID:10488984
Update Time:2025-07-02

3-Bromo-5-nitrophenol Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-nitrophenol
    • 3-Bromo-5-hydroxynitrobenzene
    • Phenol, 3-bromo-5-nitro-
    • 3-Brom-5-nitro-phenol
    • 3-bromo-5-nitro-phenol
    • 5-bromo-3-nitrophenol
    • Phenol,3-bromo-5-nitro
    • Phenol, 3-bromo-5-nitro- (Related Reference)
    • VJQGLUHOAIZTNK-UHFFFAOYSA-N
    • STL557346
    • SBB095488
    • BBL103536
    • AS06516
    • CM10189
    • Z7790
    • ST24041933
    • AS-20150
    • DTXSID90440759
    • C6H4BrNO3
    • AE-562/43287008
    • BCP33685
    • AKOS016002096
    • SY104787
    • 116632-23-6
    • CS-W006488
    • A846899
    • EN300-100493
    • SCHEMBL219621
    • MFCD09965960
    • 3-Bromo-5-nitrophenol96%
    • 3-Bromo-5-nitrophenol 97%
    • 3-Bromo-5-hydroxynitrobenzene;3-Bromo-5-nitrophenol;
    • MDL: MFCD09965960
    • Inchi: 1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
    • InChI Key: VJQGLUHOAIZTNK-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C=1)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 216.93700
  • Monoisotopic Mass: 216.93746g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 158
  • 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: 3.2
  • Topological Polar Surface Area: 66

Experimental Properties

  • Density: 1.881±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 145 oC
  • Boiling Point: 310.4°C at 760 mmHg
  • Solubility: Very slightly soluble (0.7 g/l) (25 o C),
  • PSA: 66.05000
  • LogP: 2.58610

3-Bromo-5-nitrophenol Security Information

3-Bromo-5-nitrophenol Customs Data

  • HS CODE:2908999090
  • Customs Data:

    China Customs Code:

    2908999090

    Overview:

    2908999090 Halogenated derivatives of other phenols and phenolic alcohols(Including its 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:

    2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

3-Bromo-5-nitrophenol Pricemore >>

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3-Bromo-5-nitrophenol Related Literature

Additional information on 3-Bromo-5-nitrophenol

Comprehensive Overview of 3-Bromo-5-nitrophenol (CAS No. 116632-23-6): Properties, Applications, and Industry Insights

3-Bromo-5-nitrophenol (CAS No. 116632-23-6) is a halogenated nitroaromatic compound widely recognized for its versatile applications in organic synthesis and specialty chemicals. With the molecular formula C6H4BrNO3, this compound features a phenol core substituted with a bromine atom at the 3-position and a nitro group at the 5-position. Its unique structural attributes make it a valuable intermediate in pharmaceuticals, agrochemicals, and advanced material research. The growing demand for halogenated phenols and nitroaromatic derivatives in R&D underscores its significance in modern chemistry.

The synthesis of 3-Bromo-5-nitrophenol typically involves nitration or bromination reactions, optimized for high yield and purity. Researchers frequently explore its reactivity in coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig cross-couplings, to construct complex molecular architectures. Recent studies highlight its role in developing fluorescent probes and photoactive materials, aligning with trends in sustainable chemistry and green synthesis. As industries prioritize eco-friendly solvents and catalytic processes, this compound’s adaptability to aqueous-phase reactions has garnered attention.

From an analytical perspective, 3-Bromo-5-nitrophenol exhibits distinct spectroscopic properties. NMR and IR spectra confirm its structural integrity, while HPLC methods ensure precise quantification in formulations. Its stability under controlled conditions makes it suitable for long-term storage, though precautions against light and moisture are recommended. Regulatory compliance, including REACH and TSCA registrations, further validates its safe handling protocols.

Emerging applications of 3-Bromo-5-nitrophenol extend to bioconjugation chemistry and drug discovery, where its electrophilic sites facilitate selective modifications. For instance, it serves as a precursor in synthesizing kinase inhibitors or antimicrobial agents, addressing global health challenges. The compound’s compatibility with high-throughput screening platforms also enhances its utility in pharmaceutical innovation.

Market trends indicate rising interest in custom synthesis and scalable production of 116632-23-6, driven by demand from Asia-Pacific and North American regions. Suppliers emphasize GMP-grade manufacturing to meet stringent quality standards, while patent filings reveal novel derivatives for niche applications. For researchers, optimizing atom economy and waste reduction in its synthesis remains a focal point.

In conclusion, 3-Bromo-5-nitrophenol exemplifies the intersection of traditional organic chemistry and cutting-edge industrial needs. Its multifaceted roles—from intermediate synthesis to material science—underscore its enduring relevance. Future advancements may explore its potential in renewable energy sectors or biodegradable polymers, reflecting the compound’s adaptability to evolving scientific paradigms.

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