Cas no 637-88-7 (1,4-Cyclohexanedione)
1,4-Cyclohexanedione Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexanedione
- tetrahydro-p-benzoquinone
- 1,4-Cyclohexandion
- Cyclohexane-1,4-dione
- FT-0665352
- C08063
- SCHEMBL150852
- AI3-22410
- 1,4-Dioxocyclohexane
- EINECS 211-306-0
- BP-30065
- 1,4 cyclohexane dione
- Q2806566
- 1,4-Cyclohexanedione-2,2,3,3,5,5,6,6-d8
- 1,4-Cyclohexandione
- DTXSID6060929
- 3-METHYLURICACID
- NSC-7192
- bmse000513
- AKOS005146041
- NSC 7192
- FT-0606825
- MFCD00001606
- BJS27Z99AM
- 1,4-cyclohexane-dione
- CS-W011270
- SY002914
- InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H
- Z877626718
- 1,4-Cyclohexanedione, purum, >=98.0% (GC)
- NSC7192
- UNII-BJS27Z99AM
- 1,4-Cyclohexanedione, Vetec(TM) reagent grade, 98%
- cyclohexane-1,4-quinone
- 1,4-Cyclohexanedione, 98%
- NS00035568
- EN300-58858
- A834527
- TETRAHYDROQUINONE
- Cyclohexan-1,4-dione
- CHEBI:28286
- PS-5321
- J-520151
- F11265
- 637-88-7
- 1,4-Cyclohexane-dione,97%
- DTXCID5044071
- DB-311515
- 1,4-Dioxocyclohexane; NSC 7192; Tetrahydroquinone;
- STK335618
- BBL027348
- 1,4Dioxocyclohexane
- HY-W010554
-
- MDL: MFCD00001606
- Inchi: 1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
- InChI Key: DCZFGQYXRKMVFG-UHFFFAOYSA-N
- SMILES: O=C1CCC(CC1)=O
- BRN: 774152
Computed Properties
- Exact Mass: 112.05200
- Monoisotopic Mass: 112.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 98.5
- 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: 4
- XLogP3: -0.6
- Topological Polar Surface Area: 34.1A^2
Experimental Properties
- Color/Form: Colorless crystals
- Density: 1.0861
- Melting Point: 77-78.5?°C (lit.)
- Boiling Point: 132°C/20mmHg(lit.)
- Flash Point: Fahrenheit: 269.6 ° f < br / > Celsius: 132 ° C < br / >
- Refractive Index: 1.4570 (estimate)
- Solubility: Soluble in methanol and ethanol.
- Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents.
- PSA: 34.14000
- LogP: 0.69860
- Solubility: Soluble in water, ethanol, ether, acetone, benzene and chloroform.
1,4-Cyclohexanedione Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S22-S24/25
- FLUKA BRAND F CODES:8
-
Hazardous Material Identification:
- Safety Term:S22;S24/25
- TSCA:Yes
- Storage Condition:Store at room temperature
1,4-Cyclohexanedione Customs Data
- HS CODE:29142900
- Customs Data:
China Customs Code:
2914299000Overview:
2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
1,4-Cyclohexanedione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 125423-10G |
1,4-Cyclohexanedione |
637-88-7 | 10g |
¥300.31 | 2023-12-10 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 125423-50G |
1,4-Cyclohexanedione |
637-88-7 | 50g |
¥976.47 | 2023-12-10 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | V900736-25G |
1,4-Cyclohexanedione |
637-88-7 | Vetec | 25G |
214.21 | 2021-05-17 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C805241-500g |
1,4-Cyclohexanedione |
637-88-7 | 99% | 500g |
928.00 | 2021-05-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R019749-100g |
1,4-Cyclohexanedione |
637-88-7 | 99% | 100g |
¥132 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R019749-25g |
1,4-Cyclohexanedione |
637-88-7 | 99% | 25g |
¥39 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R019749-500g |
1,4-Cyclohexanedione |
637-88-7 | 99% | 500g |
¥641 | 2024-05-22 | |
| TRC | C987990-5g |
1,4-Cyclohexanedione |
637-88-7 | 5g |
$ 138.00 | 2023-09-08 | ||
| TRC | C987990-25g |
1,4-Cyclohexanedione |
637-88-7 | 25g |
$ 178.00 | 2023-09-08 | ||
| TRC | C987990-100g |
1,4-Cyclohexanedione |
637-88-7 | 100g |
$ 316.00 | 2023-09-08 |
1,4-Cyclohexanedione Suppliers
1,4-Cyclohexanedione Related Literature
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Janaka C. Gamekkanda,Abhijeet S. Sinha,John Desper,Marijana ?akovi?,Christer B. Aaker?y New J. Chem. 2018 42 10539
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Heping Shi,Jiandong Yuan,Xiaohuan Wu,Xiuqing Dong,Li Fang,Yanqin Miao,Hua Wang,Fangqin Cheng New J. Chem. 2014 38 2368
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M. Arsalan Ashraf,Julia Tan,Matthew G. Davidson,Steven Bull,Marc Hutchby,Davide Mattia,Pawel Plucinski React. Chem. Eng. 2019 4 27
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Andrea Hufendiek,Sophie Lingier,Pieter Espeel,Stefaan De Wildeman,Filip E. Du Prez Polym. Chem. 2018 9 4789
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5. 104. Experiments on the synthesis of substances related to the sterols. Part XXXVIII. Ethyl cyclohexane-1 : 4-dione-2-carboxylate and other intermediatesRobert Robinson,E. Seijo J. Chem. Soc. 1941 582
Additional information on 1,4-Cyclohexanedione
1,4-Cyclohexanedione: A Comprehensive Overview
1,4-Cyclohexanedione, also known by its CAS number CAS No. 637-88-7, is a cyclic diketone compound with a six-membered ring structure. This compound has garnered significant attention in various fields due to its unique chemical properties and versatile applications. Recent studies have highlighted its potential in drug discovery, material science, and organic synthesis.
The molecular structure of 1,4-Cyclohexanedione consists of a cyclohexane ring with two ketone groups located at the 1 and 4 positions. This arrangement imparts the molecule with a high degree of symmetry and reactivity. The compound is typically synthesized through oxidation reactions or cyclization processes, depending on the starting materials used. Researchers have explored various synthetic pathways to optimize the yield and purity of CAS No. 637-88-7, which is crucial for its application in advanced materials.
In the field of drug discovery, 1,4-Cyclohexanedione has shown promise as a scaffold for developing bioactive molecules. Its ability to form hydrogen bonds and participate in conjugation makes it an ideal candidate for designing drugs targeting specific biological pathways. Recent studies have demonstrated its potential in inhibiting enzymes associated with neurodegenerative diseases, such as Alzheimer's disease.
The compound also finds application in material science, particularly in the development of advanced polymers and coatings. Its diketone groups can undergo various condensation reactions, leading to the formation of cross-linked networks with enhanced mechanical and thermal properties. Researchers have reported the use of CAS No. 637-88-7 in creating high-performance adhesives and corrosion-resistant coatings.
In terms of environmental impact, recent research has focused on the biodegradation and toxicity of 1,4-Cyclohexanedione. Studies indicate that under certain conditions, the compound can be metabolized by microorganisms, reducing its persistence in the environment. However, further investigations are required to fully understand its ecological implications.
The synthesis and characterization of CAS No. 637-88-7 have been extensively studied using modern analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These methods provide detailed insights into the molecular structure and reactivity of the compound, enabling researchers to design more efficient synthetic routes.
In conclusion, 1,4-Cyclohexanedione (CAS No. 637-88-7) is a multifaceted compound with applications spanning drug discovery, material science, and organic synthesis. Its unique chemical properties and reactivity continue to drive innovative research across various disciplines.
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