Cas no 73219-92-8 (3-bromo-5-chloro-2,6-dimethoxy-benzoate)

3-Bromo-5-chloro-2,6-dimethoxy-benzoate is a halogenated aromatic ester characterized by its distinct substitution pattern, which imparts unique reactivity and stability. The presence of bromo and chloro substituents at the 3- and 5-positions, combined with methoxy groups at the 2- and 6-positions, enhances its utility as an intermediate in organic synthesis. This compound is particularly valuable in cross-coupling reactions, where its electron-rich aromatic system facilitates selective functionalization. Its structural features also contribute to improved solubility in organic solvents, making it suitable for use in fine chemical and pharmaceutical applications. The compound's well-defined reactivity profile ensures consistent performance in complex synthetic pathways.
3-bromo-5-chloro-2,6-dimethoxy-benzoate structure
73219-92-8 structure
Product Name:3-bromo-5-chloro-2,6-dimethoxy-benzoate
CAS No:73219-92-8
MF:C9H7BrClO4
MW:294.506481409073
CID:581322
PubChem ID:6924428
Update Time:2025-05-19

3-bromo-5-chloro-2,6-dimethoxy-benzoate Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-5-chloro-2,6-dimethoxy-benzoate
    • 3-bromo-5-chloro-2,6-dimethoxybenzoate
    • 3-bromo-5-chloro-2,6-dimethoxybenzoic acid
    • 73219-92-8
    • DTXSID70426112
    • Inchi: 1S/C9H8BrClO4/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3,(H,12,13)/p-1
    • InChI Key: VOIBMJIPLSKRQL-UHFFFAOYSA-M
    • SMILES: BrC1=CC(=C(C(C(=O)[O-])=C1OC)OC)Cl

Computed Properties

  • Exact Mass: 293.92900
  • Monoisotopic Mass: 292.92162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 233
  • 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
  • Surface Charge: -1
  • Tautomer Count: nothing
  • XLogP3: 3.4
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • Color/Form: Solids
  • Melting Point: 95-97°C
  • Boiling Point: 379.7°C at 760 mmHg
  • Flash Point: 183.4°C
  • PSA: 55.76000
  • LogP: 2.81790
  • Solubility: Not determined

3-bromo-5-chloro-2,6-dimethoxy-benzoate Security Information

3-bromo-5-chloro-2,6-dimethoxy-benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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£298.00 2025-02-19
1PlusChem
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Additional information on 3-bromo-5-chloro-2,6-dimethoxy-benzoate

3-Bromo-5-Chloro-2,6-Dimethoxy-Benzoate: A Comprehensive Overview

The compound with CAS No. 73219-92-8, commonly referred to as 3-bromo-5-chloro-2,6-dimethoxy-benzoate, is a highly specialized organic compound that has garnered significant attention in the fields of chemistry, pharmacology, and material science. This benzoate derivative is characterized by its unique structure, which includes a bromine atom at position 3, a chlorine atom at position 5, and methoxy groups at positions 2 and 6 of the benzene ring. These substituents confer the compound with distinct chemical properties and make it a valuable tool in various research and industrial applications.

Recent studies have highlighted the potential of benzoate derivatives like 3-bromo-5-chloro-2,6-dimethoxy-benzoate in the development of advanced materials. For instance, researchers have explored its role as a precursor in the synthesis of high-performance polymers and optoelectronic materials. The presence of electron-withdrawing groups such as bromine and chlorine enhances the compound's ability to participate in various polymerization reactions, making it a promising candidate for next-generation materials.

In the pharmaceutical industry, 3-bromo-5-chloro-2,6-dimethoxy-benzoate has shown potential as an intermediate in drug synthesis. Its structure allows for easy functionalization, enabling chemists to design molecules with specific biological activities. Recent findings suggest that this compound could serve as a scaffold for developing new classes of antibiotics or anti-inflammatory agents. The methoxy groups at positions 2 and 6 provide additional sites for chemical modification, further expanding its utility in medicinal chemistry.

The synthesis of 3-bromo-5-chloro-2,6-dimethoxy-benzoate involves a series of well-established organic reactions. Typically, the process begins with the bromination and chlorination of a suitable benzene derivative followed by methylation to introduce the methoxy groups. The final step involves esterification to form the benzoate ester. This multi-step synthesis pathway is highly efficient and has been optimized to achieve high yields and purity levels.

From an environmental perspective, understanding the fate and transport of benzoate derivatives like 3-bromo-5-chloro-2,6-dimethoxy-benzoate is crucial for assessing their potential impact on ecosystems. Recent studies have employed advanced analytical techniques to evaluate the compound's biodegradation pathways under various environmental conditions. These studies have revealed that while the compound exhibits moderate persistence in aqueous environments, its degradation can be accelerated under specific microbial or photochemical conditions.

In terms of safety and handling, 3-bromo-5-chloro-2,6-dimethoxy-benzoate must be treated with care due to its chemical reactivity. Proper personal protective equipment (PPE) should be worn during handling to minimize exposure risks. Storage should be in accordance with standard laboratory practices to ensure stability and prevent contamination.

Looking ahead, ongoing research into benzoate derivatives is expected to uncover new applications for 3-bromo-5-chloro-2,6-dimethoxy-benzoate across diverse industries. Its unique combination of chemical properties makes it an ideal candidate for exploring novel materials with tailored functionalities. As advancements in synthetic chemistry continue to evolve, this compound will likely play an increasingly important role in both academic research and industrial development.

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