Cas no 10283-15-5 (2-Chloro-3,4-dimethylphenol)

2-Chloro-3,4-dimethylphenol structure
2-Chloro-3,4-dimethylphenol structure
Product Name:2-Chloro-3,4-dimethylphenol
CAS No:10283-15-5
MF:C8H9ClO
MW:156.609461545944
MDL:MFCD07783169
CID:160503
PubChem ID:247338
Update Time:2025-04-23

2-Chloro-3,4-dimethylphenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,2-chloro-3,4-dimethyl-
    • 2-chloro-3,4-dimethylphenol
    • 2-Chlor-3,4-dimethylphenol
    • 2-Chlor-asymm.-o-xylenol
    • 2-chloro-3,4-dimethyl-phenol
    • 2-Chloro-3,4-xylenol
    • 3,2-chloro
    • 3,4-Dimethyl-2-chlorophenol
    • 3-Chlor-4-oxy-o-xylol
    • m-chloroxylenol
    • FT-0697074
    • AKOS006286891
    • 3,4-Xylenol, 2-chloro-
    • Z1198174836
    • 10283-15-5
    • DTXSID70289522
    • EN300-221120
    • NSC-76581
    • MGH9XL2YKU
    • Phenol, 2-chloro-3,4-dimethyl-
    • 3, 2-chloro-
    • NSC76581
    • SCHEMBL1157142
    • 2-Chloro-3,4-dimethylphenol
    • MDL: MFCD07783169
    • Inchi: 1S/C8H9ClO/c1-5-3-4-7(10)8(9)6(5)2/h3-4,10H,1-2H3
    • InChI Key: LOAXBLCSZPWRHC-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(C)=C1C)O

Computed Properties

  • Exact Mass: 156.03400
  • Monoisotopic Mass: 156.0341926g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 116
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 27.0 °C
  • Boiling Point: 234.6±35.0 °C at 760 mmHg
  • Flash Point: 95.7±25.9 °C
  • PSA: 20.23000
  • LogP: 2.66240
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

2-Chloro-3,4-dimethylphenol Security Information

2-Chloro-3,4-dimethylphenol Customs Data

  • HS CODE:2908199090
  • Customs Data:

    China Customs Code:

    2908199090

    Overview:

    HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts 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:

    HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

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2-Chloro-3,4-dimethylphenol Related Literature

  • 1. The kinetics and mechanisms of aromatic halogen substitution. Part XXXIII. Kinetics and products of chlorination of some aryl acetates
    Peter B. D. de la Mare,Brian N. B. Hannan,Neil S. Isaacs J. Chem. Soc. Perkin Trans. 2 1976 1389

Additional information on 2-Chloro-3,4-dimethylphenol

Phenol,2-chloro-3,4-dimethyl- (CAS No. 10283-15-5): A Comprehensive Overview in Modern Chemical Research

Phenol,2-chloro-3,4-dimethyl-, identified by its Chemical Abstracts Service number (CAS No. 10283-15-5), is a significant compound in the realm of organic chemistry and pharmaceutical research. This molecule, characterized by its chloro and dimethyl substituents on a phenolic backbone, has garnered attention due to its versatile applications and structural properties. The compound's unique chemical profile makes it a valuable intermediate in synthesizing various pharmacologically active agents and specialty chemicals.

The structural motif of Phenol,2-chloro-3,4-dimethyl- consists of a benzene ring substituted with two methyl groups at the 3 and 4 positions and a chlorine atom at the 2 position. This arrangement imparts distinct reactivity patterns, making it a useful building block in organic synthesis. The presence of both electron-withdrawing (chloro) and electron-donating (methyl) groups allows for diverse functionalization strategies, which are exploited in the development of novel therapeutic entities.

In recent years, the pharmaceutical industry has shown increasing interest in derivatives of Phenol,2-chloro-3,4-dimethyl-. Its structural framework is conducive to the design of molecules with enhanced binding affinity and metabolic stability. For instance, researchers have utilized this compound as a precursor in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. The chloro substituent facilitates further derivatization through nucleophilic aromatic substitution reactions, while the methyl groups can be modified to introduce additional pharmacophoric elements.

One notable application of Phenol,2-chloro-3,4-dimethyl- is in the development of antiviral agents. The compound's ability to interact with biological targets through hydrophobic and electrostatic interactions has been leveraged in designing molecules that disrupt viral replication cycles. Recent studies have demonstrated its potential in inhibiting enzymes critical for viral polymerization, highlighting its significance in antiviral drug discovery.

The compound's role extends beyond pharmaceuticals into materials science. Its aromatic structure and halogen substituents make it a candidate for polymer additives that enhance thermal stability and flame retardancy. In this context, Phenol,2-chloro-3,4-dimethyl- contributes to the development of advanced materials with improved performance characteristics.

The synthesis of Phenol,2-chloro-3,4-dimethyl- typically involves chlorination and methylation reactions starting from phenol derivatives. Advances in catalytic methods have enabled more efficient and selective transformations, reducing byproduct formation and improving yields. These methodologies align with the growing emphasis on green chemistry principles, ensuring sustainable production processes.

In academic research, the study of Phenol,2-chloro-3,4-dimethyl- continues to evolve with new computational techniques providing deeper insights into its reactivity and mechanism-based drug design. Molecular modeling studies have revealed how subtle changes in its structure can modulate biological activity, guiding the rational design of next-generation compounds.

The compound's stability under various conditions has also been explored in industrial applications. Its resistance to degradation under thermal stress makes it suitable for use in high-performance coatings and adhesives. Additionally, its solubility characteristics have been optimized for formulation into liquid crystals and other advanced materials.

The regulatory landscape for compounds like Phenol,2-chloro-3,4-dimethyl- is continually evolving to ensure safety and efficacy in multiple applications. Manufacturers must adhere to stringent guidelines to evaluate their environmental impact and potential health effects. This regulatory focus underscores the importance of rigorous testing protocols before commercialization.

The future prospects for Phenol,2-chloro-3,4-dimethyl- are promising as research continues to uncover new applications. Collaborative efforts between academia and industry are expected to drive innovation in drug discovery and material science. The compound's versatility ensures its continued relevance as a key intermediate in modern chemical research.

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