Cas no 39959-54-1 (3-Bromobenzylamine hydrochloride)

3-Bromobenzylamine hydrochloride (CAS: 18714-34-6) is a halogenated aromatic amine derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. The compound features a bromine substituent at the meta position of the benzylamine scaffold, enhancing its reactivity in cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination. Its hydrochloride salt form improves stability and solubility in polar solvents, facilitating handling and storage. This reagent is particularly valuable in the preparation of bioactive molecules, ligands, and agrochemicals due to its robust functional group compatibility. High purity grades ensure consistent performance in demanding applications, making it a reliable choice for synthetic chemists.
3-Bromobenzylamine hydrochloride structure
39959-54-1 structure
Product Name:3-Bromobenzylamine hydrochloride
CAS No:39959-54-1
MF:C7H9BrClN
MW:222.510060071945
MDL:MFCD00012856
CID:55131
PubChem ID:87564870
Update Time:2025-06-11

3-Bromobenzylamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (3-Bromophenyl)methanamine hydrochloride
    • 3-Bromobenzylamine hydrochloride
    • 3-BROMOBENZYLAMINE HCL
    • Benzenemethanamine,3-bromo-, hydrochloride (9CI)
    • Benzylamine, m-bromo-, hydrochloride (6CI,7CI)
    • 1-(3-Bromophenyl)methanaminehydrochloride
    • [(3-Bromophenyl)methyl]aminehydrochloride
    • m-Bromobenzylamine hydrochloride
    • 3-Bromobenzylaminehydrochloride
    • 3-Bromobenzyl amine HCl
    • Benzenemethanamine, 3-bromo-, hydrochloride
    • PubChem3750
    • (3-Bromophenyl)methylamine hydrochloride
    • 3-Bromobenzylamine, HCl
    • 3-Bromo-benzylamine HCl salt
    • (3-Bromophenyl)Methanamine HCl
    • 3-Bromo-benzylamine hydrochloride
    • UGEQUCUBWNAU
    • UGEQUCUBWNAUJS-UHFFFAOYSA-N
    • 1-(3-bromophenyl)methanamine hydrochloride
    • CHEMBL13658
    • [(3-bromophenyl)methyl]amine hydrochloride
    • B1989
    • PS-7818
    • Z1262246228
    • SCHEMBL302987
    • 1-(3-bromophenyl) methanamine hydrochloride
    • 39959-54-1
    • EN300-60157
    • (3-Bromophenyl)methanaminehydrochloride
    • MFCD00012856
    • WLZ2853
    • (3-bromophenyl)methanamine;hydrochloride
    • 3-Bromobenzylamine hydrochloride, 96%
    • FT-0615213
    • AKOS002331476
    • STR04946
    • DTXSID10369312
    • DB-022377
    • MDL: MFCD00012856
    • Inchi: 1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
    • InChI Key: UGEQUCUBWNAUJS-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)CN.Cl
    • BRN: 3913185

Computed Properties

  • Exact Mass: 220.96100
  • Monoisotopic Mass: 220.961
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 85
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26

Experimental Properties

  • Color/Form: powder
  • Melting Point: 198.0 to 222.0 deg-C
  • Boiling Point: 244.5 °C at 760 mmHg
  • Flash Point: 104.3 °C
  • PSA: 26.02000
  • LogP: 3.41010
  • Vapor Pressure: 2 mmHg ( 0 °C)
  • Sensitiveness: Hygroscopic
  • Solubility: Not determined

3-Bromobenzylamine hydrochloride Security Information

3-Bromobenzylamine hydrochloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. 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

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-Bromobenzylamine hydrochloride Production Method

Additional information on 3-Bromobenzylamine hydrochloride

Introduction to 3-Bromobenzylamine Hydrochloride (CAS No. 39959-54-1)

3-Bromobenzylamine Hydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 39959-54-1, is a significant compound in the realm of pharmaceutical and chemical research. This compound, a hydrochloride salt of 3-bromobenzylamine, has garnered attention due to its versatile applications in synthetic chemistry and medicinal chemistry. Its molecular structure, featuring a brominated benzylamine moiety, makes it a valuable intermediate in the synthesis of various bioactive molecules.

The utility of 3-Bromobenzylamine Hydrochloride stems from its reactivity and the functional groups it possesses. The presence of a bromine atom at the para position relative to the amine group enhances its participation in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in constructing complex organic molecules. Furthermore, the hydrochloride salt form improves its solubility in polar solvents, facilitating its use in various reaction conditions.

In recent years, 3-Bromobenzylamine Hydrochloride has been explored in the development of novel pharmaceutical agents. Its structural motif is found in several drug candidates that are being investigated for their potential therapeutic effects. For instance, derivatives of benzylamine have shown promise in the treatment of neurological disorders due to their ability to interact with specific neurotransmitter receptors. The bromine substituent further modulates these interactions, making it an attractive scaffold for medicinal chemists.

One of the most compelling applications of 3-Bromobenzylamine Hydrochloride is in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is associated with numerous diseases, including cancer. By incorporating the 3-Bromobenzylamine moiety into kinase inhibitors, researchers can design molecules that selectively target aberrant signaling pathways. The bromine atom serves as a handle for further functionalization via palladium-catalyzed reactions, allowing for the creation of highly specific inhibitors.

Recent studies have also highlighted the role of 3-Bromobenzylamine Hydrochloride in material science. Its ability to act as a precursor for more complex polymers and coatings has been exploited to develop advanced materials with tailored properties. These materials exhibit enhanced stability and functionality, making them suitable for applications in electronics, coatings, and even biodegradable materials.

The synthesis of 3-Bromobenzylamine Hydrochloride typically involves the bromination of benzylamine followed by salt formation with hydrochloric acid. This process is well-documented and can be optimized for high yields and purity. The compound's stability under standard storage conditions further adds to its appeal as an industrial chemical intermediate. Its compatibility with a wide range of reaction conditions makes it a preferred choice for synthetic chemists working on complex molecular architectures.

The growing interest in 3-Bromobenzylamine Hydrochloride is also reflected in its increasing demand across various industries. Pharmaceutical companies are particularly keen on exploring its potential as a building block for new drugs, while chemical manufacturers see it as a valuable component for specialty chemicals. This dual utility positions 3-Bromobenzylamine Hydrochloride as a cornerstone compound in both academic research and industrial applications.

As research continues to uncover new applications for 3-Bromobenzylamine Hydrochloride, its significance is likely to grow even further. The development of innovative synthetic methodologies and the discovery of novel bioactive derivatives will undoubtedly expand its utility in pharmaceuticals and beyond. The compound's unique structural features and reactivity make it an indispensable tool for chemists seeking to push the boundaries of synthetic chemistry and drug discovery.

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