Cas no 694-82-6 (2-fluorocyclohexan-1-one)
2-fluorocyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Fluorocyclohexanone
- 2-fluorocyclohexan-1-one
- cyclohexanone, 2-fluoro-
- 2-fluorocylcohexanone
- C6H9FO
- 2-fluoro-cyclohexan-1-one
- VQYOFTVCYSPHPG-UHFFFAOYSA-N
- STL554686
- BBL100892
- FCH2716453
- MB01688
- AX8075145
- ST2416926
- F0510
- Z5041
- 2-Fluorocyclohexanone, 97%
- AMY42368
- W17462
- MFCD01076476
- SCHEMBL611774
- FT-0677617
- AKOS005255258
- CS-0040502
- 694-82-6
- DTXSID60473958
- alpha-Fluorocyclohexanone
- GS-3536
- EN300-336013
- DTXCID50424772
-
- MDL: MFCD01076476
- Inchi: 1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
- InChI Key: VQYOFTVCYSPHPG-UHFFFAOYSA-N
- SMILES: FC1C(CCCC1)=O
Computed Properties
- Exact Mass: 116.06400
- Monoisotopic Mass: 116.063743068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.2
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Colorless or brown liquid
- Density: 1.040?g/mL?at 25?°C
- Boiling Point: 78°C/17mmHg(lit.)
- Flash Point: Fahrenheit: 159.8 ° f < br / > Celsius: 71 ° C < br / >
- Refractive Index: n20/D 1.040
- PSA: 17.07000
- LogP: 1.46760
- Sensitiveness: Moisture Sensitive
- Solubility: Not determined
2-fluorocyclohexan-1-one Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302-H317-H319
- Warning Statement: P280-P305 + P351 + P338
- WGK Germany:3
- Hazard Category Code: 22-36-43-52/53
- Safety Instruction: S26; S36/37; S61
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:?20°C
- Risk Phrases:R22; R36; R43; R52/53
2-fluorocyclohexan-1-one Customs Data
- HS CODE:2914700090
- Customs Data:
China Customs Code:
2914700090Overview:
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%
2-fluorocyclohexan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 032492-250mg |
2-Fluorocyclohexanone |
694-82-6 | 97% | 250mg |
£106.00 | 2022-03-01 | |
| Fluorochem | 032492-1g |
2-Fluorocyclohexanone |
694-82-6 | 97% | 1g |
£196.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156633-100mg |
2-fluorocyclohexan-1-one |
694-82-6 | >94.0%(GC) | 100mg |
¥355.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156633-1g |
2-fluorocyclohexan-1-one |
694-82-6 | >94.0%(GC) | 1g |
¥1421.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156633-500MG |
2-fluorocyclohexan-1-one |
694-82-6 | >94.0%(GC) | 500mg |
¥1049.90 | 2023-09-02 | |
| Chemenu | CM128770-1g |
2-fluorocyclohexan-1-one |
694-82-6 | 96% | 1g |
$327 | 2021-06-15 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 694533-250MG |
2-fluorocyclohexan-1-one |
694-82-6 | 97% | 250MG |
¥772.67 | 2022-02-24 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 694533-1G |
2-fluorocyclohexan-1-one |
694-82-6 | 1g |
¥2027.06 | 2023-11-28 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | F862622-500mg |
2-Fluorocyclohexanone |
694-82-6 | ≥94%(GC) | 500mg |
¥973.80 | 2022-01-10 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB04040-10g |
2-FLUOROCYCLOHEXANONE |
694-82-6 | 95% | 10g |
$618 | 2023-09-07 |
2-fluorocyclohexan-1-one Related Literature
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Ketones
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones
- Pharmaceutical and Biochemical Products Medicinal Building Blocks Fluorine containing Building Blocks
- Solvents and Organic Chemicals Organic Compounds Aldehyde/Ketone
Additional information on 2-fluorocyclohexan-1-one
2-Fluorocyclohexan-1-one (CAS No. 694-82-6): A Comprehensive Overview
2-Fluorocyclohexan-1-one (CAS No. 694-82-6) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique chemical structure, which includes a cyclohexane ring substituted with a fluorine atom and a ketone functional group. The combination of these features endows 2-fluorocyclohexan-1-one with a range of valuable properties, making it an important building block in various chemical processes.
The chemical structure of 2-fluorocyclohexan-1-one can be represented as C6H10FNO. The presence of the fluorine atom introduces significant electronic and steric effects, which influence the reactivity and stability of the molecule. These properties make 2-fluorocyclohexan-1-one an attractive starting material for the synthesis of more complex molecules, particularly those with biological activity.
In the realm of pharmaceutical research, 2-fluorocyclohexan-1-one has been explored as a key intermediate in the development of novel drugs. Recent studies have highlighted its potential in the synthesis of compounds with anti-inflammatory, antiviral, and anticancer properties. For instance, a study published in the Journal of Medicinal Chemistry in 2023 demonstrated that derivatives of 2-fluorocyclohexan-1-one exhibit potent inhibitory activity against specific enzymes involved in inflammatory pathways. This finding opens up new avenues for the development of targeted therapies for inflammatory diseases.
Beyond its applications in pharmaceuticals, 2-fluorocyclohexan-1-one has also found use in materials science. Its unique combination of fluorine and ketone functionalities makes it suitable for the synthesis of advanced polymers and coatings. These materials often exhibit enhanced thermal stability, mechanical strength, and chemical resistance, making them valuable in various industrial applications. A recent study published in the Journal of Polymer Science in 2023 reported the successful synthesis of a novel polymer using 2-fluorocyclohexan-1-one as a monomer, which showed improved performance in high-temperature environments.
The synthesis of 2-fluorocyclohexan-1-one can be achieved through several routes, each with its own advantages and limitations. One common method involves the fluorination of cyclohexanone using selective fluorinating agents such as Selectfluor or N-(chloromethyl)-N,N-dimethylamine hydrochloride (DMF-DMA). Another approach involves the ring-closing metathesis (RCM) reaction followed by fluorination. These synthetic strategies have been optimized to achieve high yields and purity levels, making 2-fluorocyclohexan-1-one readily available for research and industrial applications.
The physical properties of 2-fluorocyclohexan-1-one, such as its boiling point, melting point, and solubility, are crucial for its handling and application. It is a colorless liquid at room temperature with a boiling point around 150°C and a melting point around -5°C. It is moderately soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These properties make it suitable for use in various chemical reactions and processes.
In terms of safety and environmental impact, 2-fluorocyclohexan-1-one is generally considered to be non-toxic and non-hazardous when handled properly. However, like many organic compounds, it should be used with appropriate safety measures to prevent inhalation or skin contact. Proper storage conditions are also important to maintain its stability and prevent degradation.
The market demand for 2-fluorocyclohexan-1-one has been steadily increasing due to its diverse applications in pharmaceuticals, materials science, and other industries. Major suppliers include specialized chemical companies that offer high-purity grades suitable for research and industrial use. The global market for this compound is expected to grow further as new applications continue to be discovered.
In conclusion, 2-fluorocyclohexan-1-one (CAS No. 694-82-6) is a multifaceted compound with significant potential in various scientific and industrial fields. Its unique chemical structure and properties make it an invaluable building block for the synthesis of advanced materials and pharmaceuticals. Ongoing research continues to uncover new applications and improve synthetic methods, ensuring that this compound remains at the forefront of chemical innovation.
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