Cas no 821-76-1 (1,7-Dichloroheptane)
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:
2903199000Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D776697-5g |
1,7-Dichloroheptane |
821-76-1 | 95% | 5g |
$1020 | 2025-02-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1594201-5g |
1,7-Dichloroheptane |
821-76-1 | 98% | 5g |
¥9480.00 | 2024-07-28 | |
| eNovation Chemicals LLC | D776697-5g |
1,7-Dichloroheptane |
821-76-1 | 95% | 5g |
$1020 | 2024-07-20 | |
| eNovation Chemicals LLC | D776697-5g |
1,7-Dichloroheptane |
821-76-1 | 95% | 5g |
$1020 | 2025-02-28 |
1,7-Dichloroheptane Suppliers
1,7-Dichloroheptane Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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.