Cas no 6968-28-1 (4-Bromophthalic acid)

4-Bromophthalic acid (CAS 6320-49-0) is a brominated derivative of phthalic acid, characterized by the presence of a bromine substituent at the 4-position of the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty polymers. Its bromine moiety enhances reactivity, facilitating further functionalization via cross-coupling or substitution reactions. The carboxylic acid groups enable derivatization into esters, amides, or anhydrides, broadening its utility in fine chemical applications. With high purity and consistent quality, 4-bromophthalic acid is valued for its reliability in research and industrial processes requiring precise brominated aromatic building blocks.
4-Bromophthalic acid structure
4-Bromophthalic acid structure
Product Name:4-Bromophthalic acid
CAS No:6968-28-1
MF:C8H5BrO4
MW:245.026901960373
MDL:MFCD00043538
CID:47134
PubChem ID:87565107
Update Time:2025-10-31

4-Bromophthalic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromophthalic acid
    • 4-Bromo-1,2-benzenedicarboxylic Acid
    • 1,2-Benzenedicarboxylic acid,4-bromo
    • 4-bromobenzene-1,2-dicarboxylic acid
    • 4-bromophthalic diacid
    • 4-Bromophthalsaeure
    • 4-Brom-phthalsaeure
    • 5-bromophthalic acid
    • Phthalicacid, 4-bromo- (6CI,8CI)
    • NSC 20682
    • 4-Bromophthalicacid
    • MFCD00043538
    • NCGC00340441-01
    • NSC20682
    • 6968-28-1
    • 1,2-Benzenedicarboxylic acid, 4-bromo-
    • AM20041030
    • SCHEMBL618056
    • FT-0617917
    • EINECS 230-183-4
    • SY010194
    • UNII-DX3373TJ24
    • DTXSID00219973
    • NS00036919
    • 4-Bromophthalic acid #
    • CS-W012729
    • B2257
    • DX3373TJ24
    • AB01333358-02
    • AKOS002305464
    • AS-15688
    • 5-bromo-phthalic acid
    • NSC-20682
    • DB-055320
    • DTXCID50142464
    • AS-871/40879350
    • ALBB-025917
    • STK396648
    • MDL: MFCD00043538
    • Inchi: 1S/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
    • InChI Key: AZXKGUVDIORSED-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(=O)O)=C(C(=O)O)C=1
    • BRN: 1959086

Computed Properties

  • Exact Mass: 243.93700
  • Monoisotopic Mass: 243.937
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 228
  • 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: 74.6A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Molecular Weight: 245.03

Experimental Properties

  • Color/Form: Not available
  • Density: 1.8281 (rough estimate)
  • Melting Point: 162.0 to 166.0 deg-C
  • Boiling Point: 412.4°C at 760 mmHg
  • Flash Point: 203.2°C
  • Refractive Index: 1.4490 (estimate)
  • PSA: 74.60000
  • LogP: 1.84550
  • Solubility: Not available

4-Bromophthalic acid Security Information

4-Bromophthalic acid Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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4-Bromophthalic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:6968-28-1)4-Bromophthalic acid
Order Number:sfd5421
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

4-Bromophthalic acid Related Literature

Additional information on 4-Bromophthalic acid

4-Bromophthalic Acid: A Comprehensive Overview

4-Bromophthalic acid (CAS No. 6968-28-1) is a versatile organic compound that has garnered significant attention in the fields of chemistry, materials science, and pharmaceutical research. This compound is characterized by its unique molecular structure, which consists of a phthalic acid core with a bromine atom substituted at the 4-position. The combination of these functional groups imparts 4-Bromophthalic acid with a range of interesting properties that make it a valuable intermediate in various synthetic processes and applications.

The chemical formula of 4-Bromophthalic acid is C8H5BrO4, and its molecular weight is approximately 237.03 g/mol. The compound is typically found as a white to off-white crystalline solid, which is soluble in common organic solvents such as methanol, ethanol, and dimethylformamide (DMF). These solubility properties make it easy to handle and process in laboratory and industrial settings.

In recent years, 4-Bromophthalic acid has been the subject of extensive research due to its potential applications in the synthesis of advanced materials and pharmaceuticals. One notable area of interest is its use as a building block for the preparation of polymeric materials with tailored properties. For instance, studies have shown that 4-Bromophthalic acid can be polymerized to form poly(phthalate) derivatives with enhanced thermal stability and mechanical strength. These polymers have found applications in areas such as electronics, coatings, and adhesives.

Beyond its role in materials science, 4-Bromophthalic acid has also shown promise in pharmaceutical research. The bromine substituent on the phthalic acid core can be used to introduce additional functional groups or modify existing ones, leading to the synthesis of novel drug candidates. For example, recent studies have explored the use of 4-Bromophthalic acid-derived compounds as potential inhibitors of specific enzymes involved in disease pathways. These compounds have demonstrated promising activity in preliminary biological assays, suggesting their potential for further development as therapeutic agents.

The synthesis of 4-Bromophthalic acid can be achieved through various routes, depending on the desired purity and scale of production. One common method involves the bromination of phthalic anhydride using bromine or N-bromosuccinimide (NBS) as the brominating agent. This reaction typically proceeds under mild conditions and yields high-purity 4-Bromophthalic acid. Another approach involves the direct bromination of phthalic acid using elemental bromine or other brominating reagents. Both methods have been optimized to ensure high yields and selectivity, making them suitable for both laboratory-scale synthesis and industrial production.

The physical and chemical properties of 4-Bromophthalic acid have been extensively characterized through various analytical techniques. Spectroscopic methods such as infrared (IR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry (MS) have been used to confirm its structure and purity. Additionally, thermal analysis techniques like differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) have provided insights into its thermal stability and decomposition behavior. These data are crucial for understanding the behavior of 4-Bromophthalic acid in different environments and applications.

In terms of safety and handling, 4-Bromophthalic acid should be managed with care due to its potential health effects. It is important to follow standard laboratory safety protocols when working with this compound, including the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. Additionally, proper storage conditions should be maintained to prevent degradation or contamination.

The environmental impact of 4-Bromophthalic acid is another important consideration. While it is not classified as a hazardous substance under current regulations, it is advisable to handle it responsibly to minimize any potential environmental impact. Proper disposal methods should be followed to ensure that any waste generated from its use is managed safely and in compliance with local regulations.

In conclusion, 4-Bromophthalic acid (CAS No. 6968-28-1) is a multifaceted compound with a wide range of applications in chemistry, materials science, and pharmaceutical research. Its unique molecular structure and versatile properties make it an attractive candidate for further exploration and development. As research continues to uncover new possibilities for this compound, it is likely that we will see even more innovative uses for 4-Bromophthalic acid in the future.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:6968-28-1)4-Bromophthalic acid
sfd5421
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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