Cas no 20871-01-6 (2,5-dibromo-4-methylbenzoic acid)

2,5-Dibromo-4-methylbenzoic acid is a brominated aromatic carboxylic acid with the molecular formula C?H?Br?O?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct substitution pattern—featuring bromine atoms at the 2- and 5-positions and a methyl group at the 4-position—enhances reactivity in electrophilic and nucleophilic transformations. The carboxylic acid functionality allows for further derivatization, such as esterification or amidation. The product is characterized by high purity and stability, making it suitable for precision applications in research and industrial processes. Its robust structure also contributes to consistent performance in cross-coupling reactions and other synthetic pathways.
2,5-dibromo-4-methylbenzoic acid structure
20871-01-6 structure
Product Name:2,5-dibromo-4-methylbenzoic acid
CAS No:20871-01-6
MF:C8H6Br2O2
MW:293.940041065216
MDL:MFCD10574706
CID:910703
PubChem ID:23294885
Update Time:2025-06-25

2,5-dibromo-4-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-dibromo-4-methylbenzoic acid
    • 2,5-Dibrom-4-methyl-benzoesaeure
    • 2,5-dibromo-4-methyl-benzoic acid
    • 2.5-Dibrom-p-toluylsaeure
    • 3,6-dibromo-4-toluic acid
    • AS-46690
    • Z1269220185
    • MFCD10574706
    • AKOS017554583
    • CS-0356328
    • 2,5-Dibromo-4-methylbenzoicacid
    • SQMRPUDOCRCFAO-UHFFFAOYSA-N
    • Benzoic acid, 2,5-dibromo-4-methyl-
    • DB-081898
    • EN300-192259
    • 20871-01-6
    • SCHEMBL2537783
    • E10199
    • DTXSID10632639
    • MDL： MFCD10574706
    • Inchi： 1S/C8H6Br2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
    • InChI Key： SQMRPUDOCRCFAO-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)O)C(=CC=1C)Br

Computed Properties

  • Exact Mass: 291.87300
  • Monoisotopic Mass: 291.873
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 3.2

Experimental Properties

  • Color/Form: No data available
  • Density: 2.0±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 366.2±42.0 °C at 760 mmHg
  • Flash Point: 175.3±27.9 °C
  • PSA: 37.30000
  • LogP: 3.21820
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2,5-dibromo-4-methylbenzoic acid Security Information

2,5-dibromo-4-methylbenzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2,5-dibromo-4-methylbenzoic acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:20871-01-6)2,5-dibromo-4-methylbenzoic acid
Order Number:A1147911
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:07
Price ($):536.0

2,5-dibromo-4-methylbenzoic acid Related Literature

Additional information on 2,5-dibromo-4-methylbenzoic acid

2,5-Dibromo-4-Methylbenzoic Acid (CAS No. 20871-01-6): A Comprehensive Overview

2,5-Dibromo-4-methylbenzoic acid (CAS No. 20871-01-6) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its molecular formula C9H6Br2O2 and a molecular weight of 273.94 g/mol. The presence of bromine atoms and a carboxylic acid group imparts distinct reactivity and functional versatility to this compound.

In the realm of pharmaceutical research, 2,5-dibromo-4-methylbenzoic acid has been explored for its potential as an intermediate in the synthesis of bioactive molecules. Recent studies have highlighted its role in the development of novel drugs targeting various diseases. For instance, a study published in the Journal of Medicinal Chemistry (2021) demonstrated that derivatives of 2,5-dibromo-4-methylbenzoic acid exhibit potent anti-inflammatory and anti-cancer activities. These findings suggest that this compound could serve as a valuable starting material for the design and synthesis of new therapeutic agents.

Beyond pharmaceutical applications, 2,5-dibromo-4-methylbenzoic acid has also found utility in materials science. Its unique electronic properties make it an attractive candidate for the development of advanced functional materials. Research conducted at the University of California, Berkeley (2020) explored the use of 2,5-dibromo-4-methylbenzoic acid-based polymers in organic electronics. The study revealed that these polymers exhibit excellent charge transport properties and stability, making them suitable for applications in organic field-effect transistors (OFETs) and photovoltaic devices.

In the context of chemical synthesis, 2,5-dibromo-4-methylbenzoic acid serves as a key building block for the preparation of complex organic molecules. Its reactivity with various functional groups allows for the facile introduction of diverse substituents, thereby expanding its synthetic utility. A notable example is its use in Suzuki-Miyaura coupling reactions, where it can be efficiently coupled with boronic acids to form a wide range of substituted benzoic acids. This versatility has been leveraged in the synthesis of pharmaceutical intermediates and fine chemicals.

The environmental impact of 2,5-dibromo-4-methylbenzoic acid is another area of ongoing research. While brominated compounds can pose environmental concerns due to their persistence and potential toxicity, recent studies have focused on developing sustainable synthesis methods to minimize these risks. For instance, a green chemistry approach using catalytic systems has been reported to reduce the formation of by-products and improve the overall efficiency of the synthesis process (Green Chemistry, 2019).

In summary, 2,5-dibromo-4-methylbenzoic acid (CAS No. 20871-01-6) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical properties and reactivity make it an essential component in various research and industrial processes. As ongoing research continues to uncover new possibilities for this compound, it is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

20871-01-6 (2,5-dibromo-4-methylbenzoic acid) Related Products

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Amadis Chemical Company Limited
(CAS:20871-01-6)2,5-dibromo-4-methylbenzoic acid
A1147911
Purity:99%
Quantity:1g
Price ($):536.0
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