Cas no 10226-30-9 (6-Chloro-2-hexanone)

6-Chloro-2-hexanone (CAS 4270-67-3) is a chlorinated ketone with the molecular formula C?H??ClO. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive chloro and ketone functional groups enable efficient derivatization, making it valuable for nucleophilic substitution and condensation reactions. The compound exhibits moderate volatility and solubility in common organic solvents, facilitating its use in laboratory and industrial applications. Its well-defined structure and purity ensure consistent performance in synthetic workflows. Proper handling is advised due to its potential irritant properties and reactivity under certain conditions.
6-Chloro-2-hexanone structure
6-Chloro-2-hexanone structure
Product Name:6-Chloro-2-hexanone
CAS No:10226-30-9
MF:C6H11ClO
MW:134.603941202164
MDL:MFCD00191625
CID:48469
PubChem ID:82468
Update Time:2025-05-26

6-Chloro-2-hexanone Chemical and Physical Properties

Names and Identifiers

    • 6-Chlorohexan-2-one
    • 1-CHLORO-5-HEXANONE
    • 1-CHLOROHEXAN-5-ONE
    • 4-CHLOROBUTYL METHYL KETONE
    • 1-Chlorohexane-5-one
    • Chlorohexanone
    • 6-Chloro-2-hexanone
    • (1S,2R)-1-PHENYL-2-PYRROLIDIN-1-YL-PROPAN-1-OLHYDROCHLORIDE
    • 2-Hexanone,6-chloro
    • 5-chloro-2-hexanone
    • 5-chlorovaleroyl
    • 6-CHLOR-2-HEXANON
    • 6-chloro-2-hexan-2-one
    • 6-Chloro-2-hexanol
    • methyl 4-chlorobutyl ketone
    • 5-Oxohexyl chloride
    • 2-Hexanone, 6-chloro-
    • 6-CHLORO-2-HEXANONE,98%
    • 6-Chloro-2-hexanone 97%
    • FT-0607634
    • EN300-26858
    • A800551
    • AKOS000121117
    • 6-chloro-hexan-2-one
    • AS-57600
    • A1-01703
    • MFCD00191625
    • 10226-30-9
    • CMDIDTNMHQUVPE-UHFFFAOYSA-N
    • AM90172
    • NS00020364
    • DTXSID50144847
    • 1-chloro-hexan-5-one
    • W-108879
    • 6-Chloro-2-hexanone, 97%
    • D89394
    • SCHEMBL1115670
    • EINECS 233-546-5
    • CS-W013363
    • ALBB-025821
    • MDL: MFCD00191625
    • Inchi: 1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
    • InChI Key: CMDIDTNMHQUVPE-UHFFFAOYSA-N
    • SMILES: ClCCCCC(C)=O

Computed Properties

  • Exact Mass: 134.05000
  • Monoisotopic Mass: 134.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 70.9
  • 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: 3
  • XLogP3: 1.2
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: Colorless oily liquid
  • Density: 1.02?g/mL?at 25?°C(lit.)
  • Boiling Point: 79°C/15mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:194°F
    Degrees Celsius:90°C
  • Refractive Index: n20/D 1.4435(lit.)
  • Water Partition Coefficient: Insoluble in water, soluble in chloroform (chloroform, carbon), n-heptane, ethanol, butanol, etc.
  • PSA: 17.07000
  • LogP: 1.98450
  • Sensitiveness: Sensitive to light
  • Solubility: Insoluble in water, soluble in chloroform, n-heptane, ethanol, n-butanol, etc

6-Chloro-2-hexanone Security Information

  • Prompt:warning
  • Hazard Statement: H227
  • Warning Statement: P210-P280-P370+P378-P403+P235-P501
  • Hazardous Material transportation number:NA 1993 / PGIII
  • WGK Germany:3
  • Hazard Category Code: R36/37/38
  • Safety Instruction: S37/39-S26
  • Hazardous Material Identification: Xi
  • Storage Condition:<0°C
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S37/39

6-Chloro-2-hexanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

6-Chloro-2-hexanone Pricemore >>

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6-Chloro-2-hexanone Production Method

6-Chloro-2-hexanone Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:10226-30-9)6-氯-2-己酮
Order Number:LE2471916
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally

6-Chloro-2-hexanone Related Literature

Additional information on 6-Chloro-2-hexanone

Research Brief on 6-Chloro-2-hexanone (CAS: 10226-30-9): Recent Advances and Applications in Chemical Biology and Pharmaceutical Sciences

6-Chloro-2-hexanone (CAS: 10226-30-9) is a chlorinated ketone compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activity, and potential therapeutic applications. Recent studies have highlighted its role as a key intermediate in the synthesis of more complex bioactive molecules, as well as its direct pharmacological properties.

In the context of synthetic chemistry, 6-Chloro-2-hexanone has been utilized as a building block for the development of novel heterocyclic compounds. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in the synthesis of pyrrolidine derivatives, which exhibit promising antimicrobial activity. The study employed a multi-step reaction pathway, with 6-Chloro-2-hexanone serving as the starting material, and achieved a yield of 78% under optimized conditions. This underscores the compound's utility in facilitating efficient and scalable synthetic routes.

From a pharmacological perspective, recent investigations have explored the bioactivity of 6-Chloro-2-hexanone and its derivatives. A preprint article on bioRxiv (2024) reported that this compound exhibits moderate inhibitory effects on certain cytochrome P450 enzymes, suggesting potential applications in drug metabolism studies. Additionally, molecular docking simulations revealed that 6-Chloro-2-hexanone interacts with the active sites of these enzymes, providing a structural basis for further optimization. These findings open new avenues for its use in pharmacokinetic research and drug-drug interaction assessments.

Another emerging area of interest is the application of 6-Chloro-2-hexanone in prodrug design. Researchers at the University of Cambridge (2023) have incorporated this compound into a series of prodrugs aimed at improving the bioavailability of poorly soluble therapeutics. Their results, published in Chemical Communications, demonstrated that the chloro-ketone moiety enhances membrane permeability, thereby addressing a critical challenge in drug delivery. This innovative approach has sparked further investigations into similar derivatives for targeted therapy.

Despite these advancements, challenges remain in the safe handling and environmental impact of 6-Chloro-2-hexanone. A recent review in Green Chemistry (2024) emphasized the need for greener synthetic protocols to minimize the use of hazardous reagents in its production. Alternative methods, such as biocatalysis and flow chemistry, are being explored to enhance sustainability while maintaining high yields and purity. These efforts align with the broader goals of sustainable pharmaceutical manufacturing.

In conclusion, 6-Chloro-2-hexanone (CAS: 10226-30-9) continues to be a compound of significant interest in chemical biology and pharmaceutical sciences. Its dual role as a synthetic intermediate and a bioactive molecule underscores its versatility. Future research should focus on optimizing its pharmacological properties, exploring new therapeutic applications, and addressing environmental concerns. This brief highlights the compound's potential to contribute to advancements in drug discovery and development, provided that these challenges are met with innovative solutions.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:10226-30-9)6-氯-2-己酮
LE2471916
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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