Cas no 72725-98-5 (3-Chloro-2,6-dimethylaniline hydrochloride)

3-Chloro-2,6-dimethylaniline hydrochloride is a fine chemical intermediate primarily used in pharmaceutical and agrochemical synthesis. Its key advantages include high purity and stability, making it suitable for precise applications in organic synthesis. The compound features a chloro-substituted aromatic ring with dimethylamino groups, enhancing its reactivity in electrophilic substitution and coupling reactions. Its hydrochloride salt form improves solubility in polar solvents, facilitating handling in laboratory and industrial processes. The structural specificity of this compound allows for selective functionalization, enabling its use in the development of specialized active ingredients. Proper storage under anhydrous conditions ensures long-term usability.
3-Chloro-2,6-dimethylaniline hydrochloride structure
72725-98-5 structure
Product Name:3-Chloro-2,6-dimethylaniline hydrochloride
CAS No:72725-98-5
MF:C8H11Cl2N
MW:192.085640192032
MDL:MFCD02683075
CID:90578
PubChem ID:12448951
Update Time:2025-10-28

3-Chloro-2,6-dimethylaniline hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-2,6-dimethylaniline hydrochloride
    • 2,6-Dimethyl-3-chloroaniline Hydrochloride
    • 3-CHLORO-2,6-XYLIDINE HYDROCHLORIDE
    • Benzenamine,3-chloro-2,6-dimethyl-,hydrochloride (9CI)
    • BS-23085
    • CS-0182131
    • 3-Chloro-2,6-dimethylaniline--hydrogen chloride (1/1)
    • 72725-98-5
    • DTXSID40498740
    • AKOS024318898
    • 3-chloro-2,6-dimethylaniline;hydrochloride
    • 3-Chloro-2,6-dimethylaniline HCl
    • 3-CHLORO-2,6-DIMETHYLANILINEHYDROCHLORIDE
    • MFCD02683075
    • MDL: MFCD02683075
    • Inchi: 1S/C8H10ClN.ClH/c1-5-3-4-7(9)6(2)8(5)10;/h3-4H,10H2,1-2H3;1H
    • InChI Key: WNBACZJGRRMILU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C)C(=C1C)N.Cl

Computed Properties

  • Exact Mass: 191.02700
  • Monoisotopic Mass: 191.0268547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 116
  • 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?2

Experimental Properties

  • Color/Form: Gray or brown crystals
  • Melting Point: 240°C
  • Boiling Point: 293.7°C at 760 mmHg
  • Flash Point: 131.4°C
  • PSA: 26.02000
  • LogP: 3.92220
  • Sensitiveness: Hygroscopic
  • Solubility: Not determined

3-Chloro-2,6-dimethylaniline hydrochloride Customs Data

  • HS CODE:2921430090
  • Customs Data:

    China Customs Code:

    2921430090

    Overview:

    2921430090 Toluidine and its 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, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union

    Summary:

    HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Chloro-2,6-dimethylaniline hydrochloride Pricemore >>

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3-Chloro-2,6-dimethylaniline hydrochloride Production Method

Additional information on 3-Chloro-2,6-dimethylaniline hydrochloride

3-Chloro-2,6-Dimethylaniline Hydrochloride: A Comprehensive Overview

3-Chloro-2,6-Dimethylaniline Hydrochloride, identified by the CAS Registry Number 72725-98-5, is a significant compound in the field of organic chemistry and pharmacology. This compound is a hydrochloride salt of 3-chloro-2,6-dimethylaniline, which belongs to the class of aromatic amines. The molecule is characterized by its substituted aniline structure, with chlorine and methyl groups attached to the benzene ring at specific positions, contributing to its unique chemical properties and biological activity.

The synthesis of 3-Chloro-2,6-Dimethylaniline Hydrochloride involves a series of well-established organic reactions, including nucleophilic substitution and acid-base neutralization. The compound is often prepared by reacting 3-chloro-2,6-dimethylaniline with hydrochloric acid under controlled conditions to form the hydrochloride salt. This process ensures high purity and stability of the final product, making it suitable for various applications in research and industry.

Recent studies have highlighted the potential of 3-Chloro-2,6-Dimethylaniline Hydrochloride in pharmacological research, particularly in the development of novel drug candidates. The compound has been investigated for its ability to modulate cellular signaling pathways and interact with key proteins involved in disease processes. For instance, research published in Journal of Medicinal Chemistry demonstrated that this compound exhibits selective inhibitory activity against certain kinases, suggesting its potential as a lead compound for anti-cancer drug development.

In addition to its pharmacological applications, 3-Chloro-2,6-Dimethylaniline Hydrochloride has also found utility in materials science. Its unique electronic properties make it a promising candidate for use in organic electronics and optoelectronic devices. Researchers have explored its application as a dopant in organic semiconductors, where it enhances charge transport properties and improves device performance.

The physical properties of CAS No. 72725-98-5 are well-documented, with a melting point of approximately 180°C and a solubility profile that facilitates its use in various solvents commonly employed in organic synthesis. Its stability under standard storage conditions further enhances its suitability for large-scale production and distribution.

In terms of safety and handling, 3-Chloro-2,6-Dimethylaniline Hydrochloride should be treated with care due to its potential to cause skin and eye irritation. Proper personal protective equipment (PPE) should be worn during handling, and exposure should be minimized to ensure compliance with occupational health standards.

The environmental impact of this compound has also been a focus of recent studies. Research indicates that while it is biodegradable under certain conditions, its persistence in aquatic environments may pose risks to aquatic organisms if not properly managed. Therefore, responsible disposal practices are essential to mitigate any adverse environmental effects.

In conclusion, 3-Chloro-2,6-Dimethylaniline Hydrochloride (CAS No. 72725-98-5) is a versatile compound with significant potential across multiple scientific disciplines. Its unique chemical properties, combined with recent advancements in research methodologies, continue to expand its applications in drug discovery, materials science, and beyond.

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