Cas no 29342-44-7 (2-Chloro-2,5-dimethylhexane)

2-Chloro-2,5-dimethylhexane is a halogenated hydrocarbon with the molecular formula C?H??Cl. This compound is characterized by its branched alkyl chain structure, featuring chloro and methyl substituents at the 2- and 5-positions, respectively. It is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of more complex molecules through nucleophilic substitution or elimination reactions. The presence of the chloro group enhances reactivity, making it a valuable building block for pharmaceuticals, agrochemicals, and specialty chemicals. Its stability under standard conditions and well-defined reactivity profile contribute to its utility in controlled synthetic processes. Proper handling and storage are recommended due to its potential flammability and sensitivity to moisture.
2-Chloro-2,5-dimethylhexane structure
2-Chloro-2,5-dimethylhexane structure
Product Name:2-Chloro-2,5-dimethylhexane
CAS No:29342-44-7
MF:C8H17Cl
MW:148.673581838608
MDL:MFCD00060775
CID:284522
PubChem ID:87566530
Update Time:2025-05-20

2-Chloro-2,5-dimethylhexane Chemical and Physical Properties

Names and Identifiers

    • Hexane,2-chloro-2,5-dimethyl-
    • 2-CHLORO-2,5-DIMETHYLHEXANE
    • 2,5-Dimethyl-2-chlorohexane
    • 2-Chlor-2,5-dimethylhexan
    • 2-chloro-2,5-dimethyl-hexane
    • Hexane,2-chloro-2,5-dimethyl
    • Hexane, 2-chloro-2,5-dimethyl-
    • SCHEMBL2789369
    • SVRDRJZPEYTXKX-UHFFFAOYSA-N
    • AKOS025295068
    • 29342-44-7
    • D89422
    • DTXSID60183580
    • FT-0691604
    • MFCD00060775
    • DTXCID00106071
    • 2-Chloro-2,5-dimethylhexane
    • MDL: MFCD00060775
    • Inchi: 1S/C8H17Cl/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
    • InChI Key: SVRDRJZPEYTXKX-UHFFFAOYSA-N
    • SMILES: ClC(C)(C)CCC(C)C

Computed Properties

  • Exact Mass: 148.10200
  • Monoisotopic Mass: 148.1018782g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 74.6
  • 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: 3.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.86
  • Melting Point: -41.9°C (estimate)
  • Boiling Point: 98°C/150mmHg(lit.)
  • Flash Point: 52 °C
  • Refractive Index: 1.4220-1.4260
  • PSA: 0.00000
  • LogP: 3.44000
  • Solubility: Not determined

2-Chloro-2,5-dimethylhexane Security Information

2-Chloro-2,5-dimethylhexane Customs Data

  • HS CODE:2903199000
  • Customs Data:

    China Customs Code:

    2903199000

    Overview:

    2903199000 Saturated chlorinated derivatives of other acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

2-Chloro-2,5-dimethylhexane Pricemore >>

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2-Chloro-2,5-dimethylhexane Production Method

Additional information on 2-Chloro-2,5-dimethylhexane

Professional Introduction to 2-Chloro-2,5-dimethylhexane (CAS No. 29342-44-7)

2-Chloro-2,5-dimethylhexane, with the chemical formula C?H??Cl, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aliphatic halide exhibits a unique structural configuration that makes it a valuable intermediate in the synthesis of various bioactive molecules. The presence of two methyl groups at the 2nd and 5th carbon positions, combined with a chlorine substituent, imparts distinct reactivity patterns that are highly useful in medicinal chemistry and material science applications.

The compound's molecular structure allows for versatile functionalization, making it a cornerstone in the development of novel pharmaceuticals. Researchers have leveraged its reactivity to explore pathways for creating complex heterocyclic compounds, which are prevalent in many modern drugs. The chloro-substituted backbone facilitates nucleophilic substitution reactions, enabling the introduction of diverse functional groups that can modulate biological activity.

In recent years, advancements in synthetic methodologies have highlighted the utility of 2-Chloro-2,5-dimethylhexane in constructing pharmacophores for treating neurological disorders. Studies have demonstrated its role as a precursor in the synthesis of analogs targeting GABA receptors, which are crucial for anxiety and seizure management. The compound's ability to undergo regioselective transformations has been particularly noteworthy, allowing chemists to fine-tune molecular architecture with precision.

The pharmaceutical industry has also explored derivatives of 2-Chloro-2,5-dimethylhexane for their potential antimicrobial properties. Researchers have reported promising results in synthesizing novel antibiotics by incorporating chlorine atoms into bacterial cell wall-interacting molecules. This approach has gained traction due to the increasing threat of antibiotic-resistant pathogens, underscoring the importance of innovative chemical scaffolds.

Beyond medicine, 2-Chloro-2,5-dimethylhexane finds applications in polymer chemistry and agrochemical formulations. Its stability under various reaction conditions makes it an ideal candidate for producing specialty polymers with enhanced durability. Additionally, modifications to its structure have led to the development of more effective herbicides and fungicides, contributing to sustainable agricultural practices.

The compound's synthesis typically involves chlorination reactions on isopentane or related alkanes under controlled conditions. Recent innovations in catalytic systems have improved yields and reduced byproduct formation, aligning with green chemistry principles. These advancements underscore the ongoing evolution of synthetic techniques that prioritize efficiency and environmental responsibility.

Industrial-scale production of 2-Chloro-2,5-dimethylhexane requires stringent quality control measures to ensure consistency in purity and reactivity. Analytical methods such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy are routinely employed to verify product integrity. Such rigorous standards are essential for maintaining reliability across multiple applications.

The future prospects for 2-Chloro-2,5-dimethylhexane are promising, with ongoing research focusing on expanding its utility in drug discovery and material science. Collaborative efforts between academia and industry are expected to yield breakthroughs in designing next-generation therapeutics targeting complex diseases like cancer and neurodegenerative disorders. The compound's versatility ensures its continued relevance in cutting-edge chemical research.

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