Cas no 941294-24-2 (Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate)

Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate is a halogenated aromatic ester with a molecular formula of C?H?Br?ClO?. This compound features a highly substituted benzene ring, incorporating bromine and chlorine atoms at the 3,5- and 4-positions, respectively, along with a hydroxy group at the 2-position and a methoxycarbonyl moiety. Its structural complexity makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of multiple halogens enhances its reactivity in cross-coupling reactions and electrophilic substitutions. The compound’s stability under standard conditions and well-defined reactivity profile contribute to its utility in precision chemical applications.
Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate structure
941294-24-2 structure
Product Name:Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CAS No:941294-24-2
MF:C8H5Br2ClO3
MW:344.384500265121
MDL:MFCD09475886
CID:857679
PubChem ID:26369957
Update Time:2025-10-21

Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
    • Methyl 3,5-dibromo-4-chlorosalicylate
    • 941294-24-2
    • MFCD09475886
    • BS-23611
    • CS-0211592
    • Methyl 4-chloro-3,5-dibromo-2-hydroxybenzoate
    • Methyl3,5-dibromo-4-chloro-2-hydroxybenzoate
    • DTXSID40650028
    • AKOS015833886
    • DB-370778
    • MDL: MFCD09475886
    • Inchi: 1S/C8H5Br2ClO3/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2,12H,1H3
    • InChI Key: GZRLWDKMFBMBDE-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=CC(C(=O)OC)=C1O)Br)Cl

Computed Properties

  • Exact Mass: 341.82900
  • Monoisotopic Mass: 341.82940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 4
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 3.35720

Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate Customs Data

  • HS CODE:2918290000
  • Customs Data:

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate Pricemore >>

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Additional information on Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate

Methyl 3,5-Dibromo-4-Chloro-2-Hydroxybenzoate: A Comprehensive Overview

Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate, also known by its CAS number 941294-24-2, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a benzoate ester functional group and multiple halogen substituents. The presence of bromine and chlorine atoms at specific positions on the aromatic ring imparts distinctive chemical and physical properties to the molecule.

The synthesis of Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate typically involves multi-step reactions, often starting from hydroxylbenzoic acid derivatives. The introduction of bromine and chlorine substituents is achieved through electrophilic aromatic substitution reactions, which are carefully controlled to ensure regioselectivity. Recent advancements in catalytic systems and reaction conditions have improved the yield and purity of this compound, making it more accessible for research and industrial applications.

One of the most notable applications of Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate is in the field of polymer science. The compound serves as a versatile building block for the synthesis of advanced polymers with tailored properties. For instance, researchers have utilized this compound to develop high-performance thermoplastics that exhibit excellent thermal stability and mechanical strength. These materials find applications in aerospace, automotive industries, and electronic devices where durability under extreme conditions is critical.

In addition to polymer applications, Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate has shown promise in pharmaceutical research. The compound's structure allows for the creation of bioactive molecules with potential therapeutic effects. Recent studies have explored its role as a precursor for anti-inflammatory agents and antioxidants. Its ability to undergo various chemical transformations makes it a valuable intermediate in drug discovery pipelines.

The environmental impact of Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate has also been a subject of recent investigations. Researchers have assessed its biodegradability and toxicity under various conditions. Findings indicate that while the compound exhibits moderate persistence in certain environments, it does not pose significant risks to aquatic life at typical exposure levels. These studies contribute to the development of sustainable practices for handling and disposing of such chemicals.

From a structural perspective, the molecule's symmetry and electronic distribution play a crucial role in its reactivity. The hydroxyl group at position 2 facilitates hydrogen bonding, which influences solubility and intermolecular interactions. Meanwhile, the bromine and chlorine atoms introduce electron-withdrawing effects, enhancing the compound's electrophilicity and reactivity in certain reactions.

In conclusion, Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate (CAS No. 941294-24-2) stands out as a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical properties make it an invaluable tool in both academic research and industrial innovation. As ongoing studies continue to uncover new potentials for this compound, its significance in modern chemistry is expected to grow further.

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