Cas no 629-06-1 (1-Chloroheptane)

1-Chloroheptane (CAS 629-06-1) is a clear, colorless liquid with the molecular formula C?H??Cl. It is a straight-chain alkyl halide commonly used as an intermediate in organic synthesis, particularly in the production of surfactants, pharmaceuticals, and agrochemicals. Its linear heptane chain and reactive chlorine substituent make it a versatile building block for nucleophilic substitution reactions, such as Grignard or alkylation processes. The compound exhibits moderate volatility and low water solubility, ensuring stability in various reaction conditions. Its well-defined structure and purity (>98%) allow for predictable reactivity, making it a reliable choice for laboratory and industrial applications requiring controlled alkylation or functionalization steps.
1-Chloroheptane structure
1-Chloroheptane structure
Product Name:1-Chloroheptane
CAS No:629-06-1
MF:C7H15Cl
MW:134.647001504898
MDL:MFCD00001021
CID:39267
PubChem ID:12371
Update Time:2025-06-14

1-Chloroheptane Chemical and Physical Properties

Names and Identifiers

    • 1-Chloroheptane
    • n-Heptyl chloride
    • 1-chloranylheptane
    • 1-chloro-heptane
    • 1-heptylchloride
    • chloroheptane
    • Heptane,1-chloro
    • Heptane,chloro
    • Heptyl chloride
    • n-chloroheptane
    • CS-0204709
    • MFCD00001021
    • SCHEMBL44335
    • J-802253
    • DTXSID4060864
    • Heptane, 1-chloro-
    • FT-0607647
    • AKOS000118768
    • InChI=1/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H
    • 629-06-1
    • normal-Heptyl chloride
    • 1-Chloroheptane, 99%
    • EN300-19404
    • A834082
    • Q15726086
    • EINECS 211-070-9
    • CHEMBL1797136
    • NS00035217
    • 2F3Z1E37X5
    • UNII-2F3Z1E37X5
    • DTXCID9043566
    • normalHeptyl chloride
    • STL280514
    • nHeptyl Chloride
    • DB-021161
    • Heptane, 1chloro
    • 211-070-9
    • MDL: MFCD00001021
    • Inchi: 1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
    • InChI Key: DZMDPHNGKBEVRE-UHFFFAOYSA-N
    • SMILES: ClCCCCCCC
    • BRN: 1697159

Computed Properties

  • Exact Mass: 134.08600
  • Monoisotopic Mass: 134.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 5
  • Complexity: 35.4
  • 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: nothing
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.881?g/mL?at 25?°C(lit.)
  • Melting Point: ?69?°C (lit.)
  • Boiling Point: 159°C
  • Flash Point: Fahrenheit: 100.4 ° f
    Celsius: 38 ° c
  • Refractive Index: n20/D 1.425(lit.)
  • Water Partition Coefficient: Insoluble
  • PSA: 0.00000
  • LogP: 3.19560
  • Solubility: Insoluble in water

1-Chloroheptane Security Information

1-Chloroheptane Pricemore >>

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1-Chloroheptane Suppliers

Amadis Chemical Company Limited
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(CAS:629-06-1)1-Chloroheptane
Order Number:A834082
Stock Status:in Stock
Quantity:500ml
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:36
Price ($):237.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:629-06-1)1-Chloroheptane
Order Number:sfd20915
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Jiangsu Xinsu New Materials Co., Ltd
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(CAS:629-06-1)
Order Number:SFD1624
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:03
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Additional information on 1-Chloroheptane

Comprehensive Guide to 1-Chloroheptane (CAS No. 629-06-1): Properties, Applications, and Industry Insights

1-Chloroheptane (CAS No. 629-06-1), also known as heptyl chloride, is a versatile organic compound widely used in industrial and research applications. This colorless to pale yellow liquid belongs to the class of alkyl halides, characterized by its molecular formula C7H15Cl. With a boiling point of approximately 160°C and a density of 0.88 g/cm3, it serves as a valuable intermediate in organic synthesis. Recent trends in green chemistry and sustainable solvents have sparked renewed interest in optimizing its production and applications.

The compound’s unique properties, such as its moderate polarity and reactivity, make it a preferred choice for nucleophilic substitution reactions. Researchers frequently employ 1-Chloroheptane in the synthesis of pharmaceutical intermediates, flavor compounds, and specialty chemicals. A growing area of interest is its potential role in bio-based solvent systems, aligning with the global shift toward eco-friendly industrial processes. Questions like "How is 1-Chloroheptane used in drug development?" or "What are safer alternatives to traditional chlorinated solvents?" reflect current user queries in scientific forums.

From a technical perspective, 629-06-1 exhibits excellent solubility in common organic solvents like ethanol and ether, while being immiscible in water. This attribute is critical for applications in extraction processes and catalyst systems. Analytical techniques such as GC-MS and NMR spectroscopy are routinely used to verify its purity, a topic frequently searched by quality control professionals. Innovations in process optimization have also reduced energy consumption during its production, addressing concerns about carbon footprint reduction in chemical manufacturing.

In material science, heptyl chloride finds niche applications as a surface modifier for nanoparticles and a plasticizer additive. The compound’s ability to influence polymer chain mobility has been explored in advanced material design, particularly for flexible electronics. Searches for "1-Chloroheptane in nanotechnology" or "role of alkyl halides in smart materials" highlight emerging interdisciplinary interests. Safety data sheets emphasize standard handling protocols, though its classification falls outside stringent regulatory categories, making it accessible for controlled laboratory use.

Market analyses indicate steady demand for CAS 629-06-1, driven by the agrochemical sector and fragrance industries. Its role in synthesizing long-chain derivatives for non-ionic surfactants contributes to its commercial relevance. Environmental studies focus on its biodegradation pathways, with recent publications examining microbial breakdown mechanisms—a response to searches like "environmental impact of chlorinated alkanes". As industries prioritize circular economy principles, lifecycle assessments of such compounds gain traction.

Future research directions for 1-Chloroheptane may explore its utility in energy storage systems or as a precursor for ionic liquids. The compound’s balance of reactivity and stability positions it well for next-generation chemical innovations. For researchers querying "scalable synthesis methods for alkyl chlorides" or "halogenated compounds in renewable energy," this molecule offers compelling case studies. Collaborative efforts between academia and industry continue to uncover novel applications while maintaining compliance with evolving chemical safety standards.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:629-06-1)1-Chloroheptane
A834082
Purity:99%
Quantity:500ml
Price ($):237.0
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Suzhou Senfeida Chemical Co., Ltd
(CAS:629-06-1)1-Chloroheptane
sfd20915
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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