Cas no 821-76-1 (1,7-Dichloroheptane)

1,7-Dichloroheptane (C?H??Cl?) is a linear aliphatic dichloride with applications in organic synthesis and industrial processes. Its bifunctional structure, featuring terminal chlorine atoms, makes it a versatile intermediate for nucleophilic substitution reactions, enabling the synthesis of longer-chain compounds, cyclic structures, or functionalized derivatives. The compound's well-defined reactivity and stability under controlled conditions facilitate its use in cross-coupling reactions, polymer chemistry, and the preparation of specialty chemicals. With a molecular weight of 169.09 g/mol and a boiling point of approximately 210–215°C, it offers predictable handling properties. Its purity and consistent performance are critical for reproducibility in research and manufacturing settings.
1,7-Dichloroheptane structure
1,7-Dichloroheptane structure
Product Name:1,7-Dichloroheptane
CAS No:821-76-1
MF:C7H14Cl2
MW:169.092060565948
MDL:MFCD00049144
CID:826830
PubChem ID:69965
Update Time:2025-06-15

1,7-Dichloroheptane Chemical and Physical Properties

Names and Identifiers

    • 1,7-Dichloroheptane
    • 1,7-Dichloro-n-heptane
    • 1,9-Dichlornonan;1,9-dichloro-nonan;Nonane, 1,9-dichloro-;Nonane,1,9-dichloro-;
    • SY055886
    • Heptane, 1,7-dichloro-
    • Heptane,7-dichloro-
    • MFCD00049144
    • AKOS006222119
    • NSC-18516
    • NSC18516
    • D1030
    • T71360
    • FT-0632978
    • Heptamethylene Chloride
    • DTXSID0061167
    • NWS2NGS4S4
    • SCHEMBL688308
    • Heptamethylene Dichloride
    • NSC 18516
    • PSEMXLIZFGUOGC-UHFFFAOYSA-N
    • 1,7-dichloro-heptane
    • 821-76-1
    • A24630
    • DTXCID5048267
    • DB-056577
    • MDL: MFCD00049144
    • Inchi: 1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2
    • InChI Key: PSEMXLIZFGUOGC-UHFFFAOYSA-N
    • SMILES: ClCCCCCCCCl

Computed Properties

  • Exact Mass: 168.04700
  • Monoisotopic Mass: 168.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 6
  • Complexity: 40.2
  • 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: 3.4
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.0408
  • Melting Point: 23.5°C (estimate)
  • Boiling Point: 198.96°C (estimate)
  • Flash Point: 83.1°C
  • Refractive Index: 1.4565
  • PSA: 0.00000
  • LogP: 3.41450
  • Solubility: Not determined

1,7-Dichloroheptane 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%

1,7-Dichloroheptane Pricemore >>

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1,7-Dichloroheptane Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:821-76-1)1,7-DICHLOROHEPTANE
Order Number:sfd7015
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

Additional information on 1,7-Dichloroheptane

Comprehensive Overview of 1,7-Dichloroheptane (CAS No. 821-76-1): Properties, Applications, and Industry Insights

1,7-Dichloroheptane, identified by its CAS number 821-76-1, is a linear aliphatic compound featuring two chlorine atoms at the terminal positions of a seven-carbon chain. This colorless to pale yellow liquid is widely utilized in organic synthesis, particularly as a versatile alkylating agent or intermediate for pharmaceuticals, agrochemicals, and specialty polymers. Its molecular formula C7H14Cl2 and molar mass of 169.09 g/mol make it a valuable building block in cross-coupling reactions and macrocycle formation.

Recent trends in green chemistry have spurred interest in optimizing the synthesis of 1,7-dichloroheptane derivatives, with researchers exploring catalytic methods to reduce energy consumption. The compound's bifunctional reactivity enables its use in creating biodegradable surfactants and lubricant additives, addressing growing demand for sustainable industrial solutions. Analytical techniques like GC-MS and NMR spectroscopy are routinely employed to verify its purity, typically ≥97% in commercial grades.

In material science, 821-76-1 serves as a precursor for polyether elastomers and liquid crystal polymers, with patents highlighting its role in improving thermal stability. A 2023 study demonstrated its efficacy in synthesizing self-healing coatings when combined with silicon-based monomers. These applications align with the circular economy principles that dominate current chemical industry discourse.

Handling 1,7-Dichloroheptane requires standard organic laboratory precautions. Its water solubility of 0.15 g/L at 20°C and boiling point of 210-215°C necessitate proper ventilation during high-temperature reactions. Storage recommendations include amber glass containers under inert gas to prevent hydrolytic degradation, with stability data showing excellent shelf life when protected from moisture.

The global market for chlorinated alkanes like 821-76-1 is projected to grow at 4.2% CAGR through 2028, driven by demand from Asia-Pacific pharmaceutical manufacturers. Regulatory compliance with REACH and TSCA frameworks ensures its continued availability for research purposes. Emerging applications in battery electrolyte additives and carbon capture solvents are being investigated, reflecting the compound's adaptability to cutting-edge technologies.

Frequently asked questions about CAS 821-76-1 include its distinction from 1,6-dichlorohexane (chain length effects), optimal purification methods (molecular sieves vs. distillation), and compatibility with Grignard reagents. Recent literature emphasizes its advantages over brominated analogs in nucleophilic substitution reactions due to better cost-effectiveness and reduced environmental persistence.

Innovative uses continue to emerge, such as incorporating 1,7-dichloroheptane moieties into metal-organic frameworks (MOFs) for gas storage. The compound's balanced hydrophobicity and reactivity make it particularly useful in designing drug delivery systems, where controlled release profiles are essential. These developments position 821-76-1 as a compound of ongoing scientific interest beyond its traditional applications.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:821-76-1)1,7-DICHLOROHEPTANE
sfd7015
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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