Cas no 53066-19-6 (1-(2,6-Dichlorophenyl)ethanol)

1-(2,6-Dichlorophenyl)ethanol is a chlorinated aromatic alcohol with the molecular formula C?H?Cl?O. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its dichlorophenyl group enhances stability and reactivity, making it valuable for constructing complex molecular frameworks. The hydroxyl group allows for further functionalization, enabling derivatization into esters, ethers, or other derivatives. The compound exhibits moderate solubility in organic solvents, facilitating its use in various reaction conditions. Its well-defined structure and purity make it suitable for precision applications in research and industrial processes. Proper handling is advised due to potential irritant properties.
1-(2,6-Dichlorophenyl)ethanol structure
1-(2,6-Dichlorophenyl)ethanol structure
Product Name:1-(2,6-Dichlorophenyl)ethanol
CAS No:53066-19-6
MF:C8H8Cl2O
MW:191.054520606995
MDL:MFCD00016853
CID:89739
PubChem ID:103731
Update Time:2025-10-29

1-(2,6-Dichlorophenyl)ethanol Chemical and Physical Properties

Names and Identifiers

    • 1-(2,6-dichlorophenyl)ethanol
    • 2,6-Dichloro-alpha-methylbenzyl alcohol~2,6-Dichlorophenyl methyl carbinol
    • 2,6-Dichloro-alpha-methylbenzenemethanol
    • 2,6-Dichloro-alpha-methylbenzyl alcohol
    • VUSOJMQVQGKPNN-UHFFFAOYSA-N
    • 1-(2,6-dichlorophenyl)ethan-1-ol
    • 2,6-Dichlorophenylethanol
    • 1-(2,6-dichlorophenyl)-ethanol
    • 2,6-Dichlorophenyl methyl carbinol
    • 7516AB
    • AS07052
    • TRA0159430
    • racemic 1-(2,6-dichlorophenyl)ethanol
    • Benzenemethanol,2,6-dichloro-a-methyl-
    • SY004560
    • EINECS 258-340-2
    • (R)-1-(2,6-Dichloro-phenyl)-ethanol
    • MFCD00016853
    • SB35597
    • 225923-23-9
    • NS00056883
    • AS-31292
    • (S)-1-(2,6-Dichloro-phenyl)-ethanol
    • SB35598
    • AM20040640
    • Benzenemethanol, 2,6-dichloro-.alpha.-methyl-
    • AC-7173
    • 1-(2 pound not6-Dichlorophenyl)ethanol
    • A15626
    • 53066-19-6
    • SCHEMBL2292937
    • DTXSID20967565
    • AKOS005146016
    • CS-0154126
    • FT-0605494
    • 225920-08-1
    • DB-000779
    • 1-(2,6-Dichlorophenyl)ethanol
    • MDL: MFCD00016853
    • Inchi: 1S/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
    • InChI Key: VUSOJMQVQGKPNN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1C(C)O)Cl
    • BRN: 3243202

Computed Properties

  • Exact Mass: 189.99500
  • Monoisotopic Mass: 189.995
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 119
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.7
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.323
  • Melting Point: 34-35 oC
  • Boiling Point: 262 oC
  • Flash Point: 113 oC
  • Refractive Index: 1.5670
  • PSA: 20.23000
  • LogP: 3.04670
  • Solubility: Insoluble in water

1-(2,6-Dichlorophenyl)ethanol Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25

1-(2,6-Dichlorophenyl)ethanol Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

1-(2,6-Dichlorophenyl)ethanol Pricemore >>

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1-(2,6-Dichlorophenyl)ethanol Production Method

Additional information on 1-(2,6-Dichlorophenyl)ethanol

Professional Introduction to 1-(2,6-Dichlorophenyl)ethanol (CAS No. 53066-19-6)

1-(2,6-Dichlorophenyl)ethanol, identified by its Chemical Abstracts Service Number CAS No. 53066-19-6, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This molecule, characterized by its dichlorophenyl and ethanol functional groups, has garnered attention due to its versatile applications in medicinal chemistry and industrial processes.

The structural motif of 1-(2,6-Dichlorophenyl)ethanol consists of a benzene ring substituted with two chlorine atoms at the 2 and 6 positions, linked to an ethanol side chain. This unique arrangement imparts distinct chemical properties that make it a valuable intermediate in the synthesis of various pharmacologically active agents. The presence of both electron-withdrawing chlorine atoms and a hydroxyl group enhances its reactivity, facilitating diverse chemical transformations.

In recent years, 1-(2,6-Dichlorophenyl)ethanol has been extensively studied for its role in developing novel therapeutic compounds. Researchers have leveraged its structural features to design molecules with potential applications in treating neurological disorders, inflammatory conditions, and infectious diseases. The dichlorophenyl moiety is particularly noteworthy for its ability to modulate enzyme activity and interact with biological targets.

One of the most compelling aspects of CAS No. 53066-19-6 is its utility in the synthesis of heterocyclic compounds. The ethanol group can undergo various reactions such as esterification, etherification, and oxidation, allowing for the creation of complex molecular architectures. These transformations are crucial in drug discovery pipelines, where intermediates like 1-(2,6-Dichlorophenyl)ethanol serve as building blocks for more intricate pharmacophores.

The pharmaceutical industry has shown particular interest in derivatives of 1-(2,6-Dichlorophenyl)ethanol due to their demonstrated biological activity. For instance, studies have indicated that certain analogs exhibit inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are implicated in pain and inflammation pathways. Additionally, modifications to the ethanol group have led to compounds with enhanced solubility and metabolic stability.

Advances in computational chemistry have further highlighted the importance of CAS No. 53066-19-6 as a scaffold for drug design. Molecular modeling techniques have been employed to predict the binding affinity of various derivatives to biological targets, streamlining the process of identifying lead compounds. These computational approaches complement experimental efforts by providing rapid screening tools for optimizing molecular properties.

The industrial synthesis of 1-(2,6-Dichlorophenyl)ethanol involves multi-step organic reactions that require precise control over reaction conditions. Recent innovations in catalytic systems have improved the efficiency and selectivity of these processes, reducing waste and energy consumption. Such advancements align with global trends toward sustainable manufacturing practices in the chemical industry.

In conclusion, 1-(2,6-Dichlorophenyl)ethanol (CAS No. 53066-19-6) represents a cornerstone compound in modern pharmaceutical research. Its unique structural features and reactivity make it indispensable for developing novel therapeutic agents across multiple disease areas. As research continues to uncover new applications for this molecule, its significance in medicinal chemistry is poised to grow even further.

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