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1,4-Cyclohexanedione
[CAS# 637-88-7]

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Complete supplier list of 1,4-Cyclohexanedione
Identification
Classification Chemical reagent >> Organic reagent >> Fatty ketone (including enol)
Name 1,4-Cyclohexanedione
Synonyms Cyclohexane-1,4-dione
Molecular Structure CAS # 637-88-7, 1,4-Cyclohexanedione, Cyclohexane-1,4-dione
Molecular Formula C6H8O2
Molecular Weight 112.13
CAS Registry Number 637-88-7
EC Number 211-306-0
SMILES C1CC(=O)CCC1=O
Properties
Density 1.1±0.1 g/cm3, Calc.*
Melting point 77-78.5 ºC (Expl.)
Index of Refraction 1.474, Calc.*
Boiling Point 226.7±33.0 ºC (760 mmHg), Calc.*, 132 ºC (20 mmHg) (Expl.)
Flash Point 82.2±22.4 ºC, Calc.*, 132 ºC (Expl.)
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H315-H319-H335    Details
Precautionary Statements P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501    Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Skin irritationSkin Irrit.2H315
Eye irritationEye Irrit.2H319
Specific target organ toxicity - single exposureSTOT SE3H335
SDS Available
up Discovory and Applicatios
1,4-Cyclohexanedione is a versatile organic compound widely recognized for its chemical stability and significant role in various synthetic applications. It belongs to a class of compounds known as diketones and has a six-membered ring structure containing two carbonyl groups in the 1 and 4 positions. This structure provides 1,4-cyclohexanedione with distinct reactivity and makes it valuable in the synthesis of other complex molecules. The compound has been the subject of numerous studies due to its utility in organic chemistry, particularly in the synthesis of heterocyclic compounds, as well as its use in medicinal and agricultural chemistry.

The discovery of 1,4-cyclohexanedione dates back to early research on diketones and their reactivity. Its importance grew as researchers explored its ability to act as a versatile building block for constructing a wide variety of chemical structures. The compound is synthesized through several methods, including the cyclization of linear diketones or the reaction of appropriate starting materials with catalytic agents. One of the most notable features of 1,4-cyclohexanedione is its ability to undergo nucleophilic substitution reactions, making it useful in the formation of more complex molecules. Its ability to stabilize reaction intermediates further increases its appeal as a synthetic reagent.

1,4-Cyclohexanedione finds significant application in the production of pharmaceuticals and agrochemicals. In medicinal chemistry, it has been used as a precursor for synthesizing various biologically active compounds, including anti-inflammatory agents and anticancer drugs. The compound’s ability to undergo selective transformations allows chemists to modify its structure to create compounds with specific biological activities. Additionally, 1,4-cyclohexanedione has been utilized in the preparation of metal complexes, which have potential uses in catalysis and material science.

Another prominent application of 1,4-cyclohexanedione is in the field of agriculture. It has been employed in the synthesis of fungicides and herbicides, where its chemical properties make it effective at disrupting the growth of unwanted organisms. Furthermore, it is used as a ligand in coordination chemistry, where it forms complexes with metal ions, which are then applied in catalytic processes. These processes are valuable in the industrial production of fine chemicals, helping to create materials used in various consumer products.

1,4-Cyclohexanedione also plays a role in the development of novel materials. Its ability to act as a chelating agent allows it to form stable complexes with metal ions, which can be incorporated into materials for various applications. These materials have shown promise in fields such as electronics, where their conductive properties are being explored. The versatility of 1,4-cyclohexanedione continues to make it a highly valuable compound in both research and industrial applications.

Overall, 1,4-cyclohexanedione represents an important compound with broad utility in chemical synthesis, pharmaceuticals, agrochemicals, and materials science. As research progresses, new applications for this compound are likely to emerge, further expanding its relevance in both academic and industrial fields.
Market Analysis Reports
List of Reports Available for 1,4-Cyclohexanedione
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