Cas no 13078-79-0 (2-(3-Chlorophenyl)ethylamine)

2-(3-Chlorophenyl)ethylamine is a chlorinated phenethylamine derivative with applications in pharmaceutical and organic synthesis. Its structure features a chloro-substituted phenyl ring attached to an ethylamine moiety, making it a versatile intermediate for the preparation of bioactive compounds. The chlorine substituent enhances its reactivity in electrophilic aromatic substitution and metal-catalyzed coupling reactions. This compound is particularly valuable in medicinal chemistry for the development of receptor-targeting molecules due to its balanced lipophilicity and electronic effects. High-purity grades ensure consistent performance in research and industrial processes. Proper handling is required due to its amine functionality and potential sensitivity to light and moisture.
2-(3-Chlorophenyl)ethylamine structure
2-(3-Chlorophenyl)ethylamine structure
Product Name:2-(3-Chlorophenyl)ethylamine
CAS No:13078-79-0
MF:C8H10ClN
MW:155.624701023102
MDL:MFCD00047957
CID:49020
Update Time:2025-05-26

2-(3-Chlorophenyl)ethylamine Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Chlorophenyl)ethanamine
    • M-CHLOROPHENETHYLAMINE
    • 3'-CHLOROPHENETHYLAMINE
    • 3-CHLOROPHENETHYLAMINE
    • 2-(M-CHLOROPHENYL)ETHYLAMINE
    • RARECHEM AL BW 0209
    • TIMTEC-BB SBB004020
    • 2-(3-Chlorophenyl)ethylamine
    • 3-ChlorophenethylamineCONTROLLED DRUG CLASS A SCHEDULE 1
    • 3-ChlorophenethylaMin
    • m-Chlorophenylethylamine
    • 3-chlorophenylethanaMine
    • 3-Chloro-benzeneethanaMine
    • M-Chloro-benzeneethanaMine
    • 2-(3-Chloro-phenyl)-ethylamine
    • MDL: MFCD00047957
    • Inchi: 1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
    • InChI Key: NRHVNPYOTNGECT-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)CCN

Computed Properties

  • Exact Mass: 155.05000
  • Monoisotopic Mass: 155.050177
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 95.3
  • 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: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.119?g/mL?at 25?°C(lit.)
  • Boiling Point: 145°C/30mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.549(lit.)
  • PSA: 26.02000
  • LogP: 2.54150
  • Solubility: Not determined

2-(3-Chlorophenyl)ethylamine Security Information

2-(3-Chlorophenyl)ethylamine 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%

2-(3-Chlorophenyl)ethylamine Pricemore >>

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2-(3-Chlorophenyl)ethylamine Production Method

Additional information on 2-(3-Chlorophenyl)ethylamine

2-(3-Chlorophenyl)ethylamine: A Comprehensive Overview

2-(3-Chlorophenyl)ethylamine (CAS No. 13078-79-0) is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound, also referred to as N-(3-chlorophenyl)ethanamine, is a derivative of ethylamine substituted with a chlorophenyl group at the third position of the benzene ring. Its structure and properties make it a valuable intermediate in the synthesis of complex molecules, particularly in the development of bioactive compounds.

The synthesis of 2-(3-Chlorophenyl)ethylamine involves several methods, including nucleophilic substitution and reductive amination. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly production processes. For instance, researchers have explored the use of transition metal catalysts to facilitate the coupling reactions, thereby enhancing yield and purity. These innovations are particularly relevant in the context of sustainable chemistry, where reducing waste and energy consumption is a priority.

One of the most notable applications of 2-(3-Chlorophenyl)ethylamine is in the pharmaceutical industry. It serves as a key intermediate in the synthesis of various drugs, including antiviral agents and anticancer compounds. For example, studies have shown that derivatives of this compound exhibit potent inhibitory activity against viral proteases, making them promising candidates for antiviral therapies. Additionally, its ability to form stable amide bonds makes it an ideal building block for peptide-based drugs.

In the field of agrochemistry, 2-(3-Chlorophenyl)ethylamine has been utilized in the development of herbicides and fungicides. Its chlorinated aromatic ring contributes to its stability and bioactivity, enabling it to effectively target specific enzymes in pests and pathogens. Recent research has focused on optimizing its bioavailability and reducing potential environmental impacts through structural modifications.

The chemical properties of 2-(3-Chlorophenyl)ethylamine are also exploited in materials science. Its ability to act as a ligand in coordination chemistry has led to its use in the synthesis of metal-organic frameworks (MOFs) and other porous materials. These materials have applications in gas storage, catalysis, and sensing technologies. The latest studies highlight its role in enhancing the stability and selectivity of MOFs under harsh conditions.

From a structural standpoint, 2-(3-Chlorophenyl)ethylamine exhibits unique electronic properties due to the electron-withdrawing effect of the chlorine atom on the benzene ring. This effect influences its reactivity in various chemical transformations, such as nucleophilic aromatic substitution and electrophilic addition reactions. Recent computational studies have provided deeper insights into its electronic structure, enabling better predictions of its reactivity in different reaction conditions.

In terms of safety and handling, 2-(3-Chlorophenyl)ethylamine is classified as a hazardous substance due to its potential toxicity and flammability. Proper precautions must be taken during storage and use to ensure compliance with occupational safety standards. Researchers are continuously exploring safer handling protocols and alternative synthetic routes to minimize risks associated with its production and application.

The global demand for 2-(3-Chlorophenyl)ethylamine has been growing steadily due to its diverse applications across multiple industries. Market analysis indicates that increasing investment in pharmaceutical research and development is driving this demand. Additionally, advancements in green chemistry practices are expected to further boost its utilization by reducing environmental concerns associated with its production.

In conclusion, 2-(3-Chlorophenyl)ethylamine (CAS No. 13078-79-0) is a multifaceted compound with significant contributions to various scientific domains. Its unique chemical properties, coupled with ongoing research advancements, ensure its continued relevance as a key intermediate in modern chemical synthesis.

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