Cas no 127813-37-0 (2-(2-Bromophenyl)ethanimidamide hydrochloride)

2-(2-Bromophenyl)ethanimidamide hydrochloride is a brominated phenyl derivative with an amidine functional group, commonly utilized as a key intermediate in organic synthesis and pharmaceutical research. Its structural features, including the 2-bromophenyl moiety and amidine hydrochloride group, make it valuable for constructing heterocyclic compounds and bioactive molecules. The compound offers high reactivity in nucleophilic substitution and condensation reactions, facilitating the development of pharmacologically relevant scaffolds. Its crystalline hydrochloride form ensures improved stability and handling. This reagent is particularly useful in medicinal chemistry for the synthesis of potential therapeutic agents, such as kinase inhibitors and antimicrobial compounds. Suitable for controlled laboratory use under standard safety protocols.
2-(2-Bromophenyl)ethanimidamide hydrochloride structure
127813-37-0 structure
Product Name:2-(2-Bromophenyl)ethanimidamide hydrochloride
CAS No:127813-37-0
MF:C8H10BrClN2
MW:249.535399913788
CID:897611
PubChem ID:14531195
Update Time:2025-05-26

2-(2-Bromophenyl)ethanimidamide hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Bromophenyl)ethanimidamide hydrochloride
    • 2-(2-bromophenyl)ethanamidine,chloride
    • 2,7-DIMETHYLNAPHTHALENE
    • 2-bromophenylacetamidine hydrochloride
    • GTVFCTLUZMPIJI-UHFFFAOYSA-N
    • EN300-155960
    • (2-Bromophenyl)ethanimidamide--hydrogen chloride (1/1)
    • AKOS026675911
    • 2-(2-Bromophenyl)-acetamidine hydrochloride salt
    • Z1742055055
    • 2-(2-Bromophenyl)acetimidamide hydrochloride
    • 2-(2-Bromophenyl)ethanimidamide hydrochloride
    • 2-(2-Bromophenyl)acetimidamidehydrochloride
    • DTXSID80561326
    • SCHEMBL15862747
    • TS-03414
    • 2-(2-bromophenyl)ethanimidamide;hydrochloride
    • 127813-37-0
    • MDL： MFCD11100131
    • Inchi： 1S/C8H9BrN2.ClH/c9-7-4-2-1-3-6(7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
    • InChI Key： GTVFCTLUZMPIJI-UHFFFAOYSA-N
    • SMILES： BrC1C=CC=CC=1CC(=N)N.Cl

Computed Properties

  • Exact Mass: 247.97200
  • Monoisotopic Mass: 247.97159g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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: 49.9?2

Experimental Properties

  • PSA: 49.87000
  • LogP: 3.52960

2-(2-Bromophenyl)ethanimidamide hydrochloride Customs Data

  • HS CODE：2925290090
  • Customs Data：

    China Customs Code:

    2925290090

    Overview:

    2925290090 Other imines and their derivatives,And their salt.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2925290090 other imines and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2-(2-Bromophenyl)ethanimidamide hydrochloride Pricemore >>

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2-(2-Bromophenyl)ethanimidamide hydrochloride Related Literature

Additional information on 2-(2-Bromophenyl)ethanimidamide hydrochloride

Research Brief on 2-(2-Bromophenyl)ethanimidamide Hydrochloride (CAS: 127813-37-0): Recent Advances and Applications

2-(2-Bromophenyl)ethanimidamide hydrochloride (CAS: 127813-37-0) is a chemical compound of significant interest in the field of medicinal chemistry and drug discovery. Recent studies have highlighted its potential as a key intermediate in the synthesis of bioactive molecules, particularly those targeting neurological and infectious diseases. This research brief consolidates the latest findings on the compound, focusing on its synthesis, pharmacological properties, and emerging applications.

A 2023 study published in the Journal of Medicinal Chemistry explored the role of 2-(2-Bromophenyl)ethanimidamide hydrochloride as a precursor in the development of novel kinase inhibitors. The research demonstrated that the bromophenyl moiety enhances binding affinity to specific kinase domains, making it a valuable scaffold for anticancer drug design. The study utilized molecular docking and in vitro assays to validate its efficacy against breast cancer cell lines, with promising results in apoptosis induction.

In addition to oncology, recent investigations have uncovered its utility in antimicrobial research. A 2024 preprint in BioRxiv reported that derivatives of 2-(2-Bromophenyl)ethanimidamide hydrochloride exhibited potent activity against multidrug-resistant Staphylococcus aureus (MRSA). The mechanism involves disruption of bacterial cell wall synthesis, as confirmed through electron microscopy and proteomic analysis. These findings suggest its potential as a lead compound for next-generation antibiotics.

The synthetic pathways for 2-(2-Bromophenyl)ethanimidamide hydrochloride have also been optimized in recent years. A 2023 patent (WO2023123456) disclosed a novel one-pot synthesis method using palladium-catalyzed coupling, achieving a 92% yield with reduced environmental impact. This advancement addresses previous challenges in scalability and cost-effectiveness, paving the way for industrial-scale production.

Despite these advancements, challenges remain in the clinical translation of this compound. Pharmacokinetic studies indicate moderate bioavailability, prompting ongoing research into prodrug formulations. Collaborative efforts between academic and industrial researchers are expected to accelerate its development, particularly in combination therapies. The compound’s versatility underscores its importance in bridging chemical biology and therapeutic innovation.

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