Cas no 57527-74-9 (2-(1-Chloroethyl)-1,4-dimethylbenzene)

2-(1-Chloroethyl)-1,4-dimethylbenzene is a chlorinated aromatic compound featuring a chloroethyl substituent on a dimethylbenzene backbone. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in the production of fine chemicals and pharmaceuticals. The presence of both chloro and methyl groups enhances its utility in electrophilic substitution and coupling reactions. Its well-defined molecular architecture ensures consistent performance in synthetic applications. The compound is typically handled under controlled conditions due to its reactivity, requiring appropriate safety measures. Its stability and purity make it a reliable choice for specialized chemical processes requiring precise functionalization of aromatic systems.
2-(1-Chloroethyl)-1,4-dimethylbenzene structure
57527-74-9 structure
Product Name:2-(1-Chloroethyl)-1,4-dimethylbenzene
CAS No:57527-74-9
MF:C10H13Cl
MW:168.663222074509
MDL:MFCD11186460
CID:386133
PubChem ID:93700
Update Time:2025-05-19

2-(1-Chloroethyl)-1,4-dimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2-(1-chloroethyl)-1,4-dimethyl-benzene
    • 2-(1-Chloroethyl)-1,4-dimethylbenzene
    • Benzene, 2-(1-chloroethyl)-1,4-dimethyl-
    • EINECS 260-793-6
    • DTXSID80973061
    • SCHEMBL5953148
    • 57527-74-9
    • 1-(2,5-dimethylphenyl)ethyl chloride
    • NS00054119
    • 63SCF4S9YV
    • EN300-82171
    • ZPBVKSBGMQFLMA-UHFFFAOYSA-N
    • MDL: MFCD11186460
    • Inchi: 1S/C10H13Cl/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,1-3H3
    • InChI Key: ZPBVKSBGMQFLMA-UHFFFAOYSA-N
    • SMILES: ClC(C)C1C=C(C)C=CC=1C

Computed Properties

  • Exact Mass: 168.07069
  • Monoisotopic Mass: 168.070578
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.01
  • Boiling Point: 227.2°Cat760mmHg
  • Flash Point: 89.3°C
  • Refractive Index: 1.514
  • PSA: 0

2-(1-Chloroethyl)-1,4-dimethylbenzene Pricemore >>

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Additional information on 2-(1-Chloroethyl)-1,4-dimethylbenzene

2-(1-Chloroethyl)-1,4-dimethylbenzene: A Comprehensive Overview

The compound 2-(1-Chloroethyl)-1,4-dimethylbenzene, also known by its CAS number 57527-74-9, is a significant organic chemical with a diverse range of applications. This compound belongs to the class of aromatic chlorinated compounds, characterized by its benzene ring structure with specific substituents. The molecule features a chlorine atom attached to an ethyl group, which is further connected to the benzene ring at the 2-position. Additionally, methyl groups are present at the 1 and 4 positions of the benzene ring, contributing to its unique chemical properties.

Recent studies have highlighted the importance of 2-(1-Chloroethyl)-1,4-dimethylbenzene in various industrial and chemical processes. Its structure makes it highly reactive under certain conditions, making it a valuable intermediate in the synthesis of more complex organic molecules. For instance, researchers have explored its role in the production of pharmaceutical intermediates and agrochemicals. The compound's reactivity is primarily attributed to the electron-withdrawing effect of the chlorine atom and the electron-donating effect of the methyl groups, which create a dynamic balance in its electronic structure.

The synthesis of 57527-74-9 involves a multi-step process that typically starts with chlorination reactions followed by alkylation or substitution steps. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, reducing production costs and minimizing environmental impact. These improvements are particularly relevant in light of increasing global demand for sustainable chemical manufacturing practices.

In terms of applications, 2-(1-Chloroethyl)-1,4-dimethylbenzene has found utility in the production of high-performance polymers and specialty chemicals. Its ability to undergo nucleophilic substitution reactions makes it a key component in the synthesis of various derivatives with tailored properties. For example, derivatives of this compound have been used in adhesives, coatings, and advanced materials due to their enhanced mechanical and thermal stability.

From an environmental perspective, understanding the fate and transport of 57527-74-9 in natural systems is crucial for assessing its potential impact on ecosystems. Recent research has focused on biodegradation pathways and toxicity studies to ensure safe handling and disposal practices. These studies have revealed that while the compound can be biodegraded under specific conditions, its persistence in certain environments necessitates careful management to prevent contamination.

In conclusion, 2-(1-Chloroethyl)-1,4-dimethylbenzene, or CAS number 57527-74-9, is a versatile compound with significant contributions to various industries. Its unique chemical properties and reactivity make it an essential building block in modern chemistry. As research continues to uncover new applications and improve synthesis methods, this compound will likely remain a cornerstone in both academic and industrial settings.

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