Cas no 638-04-0 (cis-1,3-Dimethylcyclohexane)
cis-1,3-Dimethylcyclohexane Chemical and Physical Properties
Names and Identifiers
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- Cyclohexane,1,3-dimethyl-, (1R,3S)-rel-
- CIS-1,3-DIMETHYLCYCLOHEXANE
- (+)-cis-(3R,4S)-1,3-dimethylpiperidin-4-ylamine
- 1,3-Dimethyl-cyclohexan
- 1,3-DIMETHYL-PIPERIDIN-4-YLAMINE
- cis-1,3-Dimethyl-4-amino-piperidin
- cis-1,3-dimethylbenzene
- cis-1,3-Dimethyl-cyclohexan
- cis-1,3-dimethyl-cyclohexane
- cis-1,3-Dimethylcyclohexane1000μg
- cis-Hexahydro-m-xylene
- NSC-74159
- 9SGO12QV70
- 1,3-dimethyl(cis)-cyclohexane
- 1,3-Dimethylcyclohexane, cis-
- Cyclohexane, 1,3-dimethyl-, cis-
- UNII-9SGO12QV70
- D89772
- InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8
- Cyclohexane, 1,3-dimethyl-, (1R,3S)-rel-
- REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE
- Cyclohexane, cis-1,3-dimethyl-
- 638-04-0
- 1,cis-3-Dimethylcyclohexane
- NSC74159
- (1R,3S)-1,3-dimethylcyclohexane
- cyclohexane, 1,3-dimethyl-, (1R,3S)-
- NS00042531
- EINECS 211-316-5
- (Z)-1,3-Dimethylcyclohexane
- AKOS025295579
- MFCD00001507
- DB-254233
- D1055
- c-1,3-dimethylcyclohexane
- DTXSID30858738
- cis-1,3-Dimethylcyclohexane, 99%
- Cyclohexane,3-dimethyl-, cis-
- NSC 74159
- cis-1,3-Dimethylcyclohexane
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- MDL: MFCD00001507
- Inchi: 1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+
- InChI Key: SGVUHPSBDNVHKL-OCAPTIKFSA-N
- SMILES: [C@@H]1(C)CCC[C@H](C)C1
Computed Properties
- Exact Mass: 112.12500
- Monoisotopic Mass: 112.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 58.4
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Colorless transparent liquid
- Density: 0.784?g/mL?at 25?°C(lit.)
- Melting Point: -76 °C
- Boiling Point: 120°C(lit.)
- Flash Point: 42?°F
- Refractive Index: n20/D 1.423(lit.)
- PSA: 0.00000
- LogP: 2.83260
- Vapor Pressure: 40.5 mm Hg ( 37.7 °C)
- Solubility: Insoluble in water.
cis-1,3-Dimethylcyclohexane Security Information
-
Symbol:
- Prompt:dangerous
- Hazard Statement: H225-H304
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Hazardous Material transportation number:UN 2263 3
- WGK Germany:3
- Hazard Category Code: 11
- Safety Instruction: S16; S29; S33
-
Hazardous Material Identification:
- HazardClass:3.1
- PackingGroup:II
- Storage Condition:Flammable area
- Packing Group:II
- Hazard Level:3.1
- Safety Term:3.1
- Packing Group:II
- Risk Phrases:R11
cis-1,3-Dimethylcyclohexane Customs Data
- HS CODE:2902199090
- Customs Data:
China Customs Code:
2902199090Overview:
2902199090 Other naphthenic hydrocarbons\Cyclic olefins and cyclic terpenes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%
Declaration elements:
Product Name, component content
Summary:
2902199090 other cyclanes, cyclenes and cyclotherpenes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%
cis-1,3-Dimethylcyclohexane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D1055-25ML |
cis-1,3-Dimethylcyclohexane |
638-04-0 | >99.0%(GC) | 25ml |
¥1020.00 | 2024-04-16 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153348-1ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 99% | 1ml |
¥139.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153348-25ML |
cis-1,3-Dimethylcyclohexane |
638-04-0 | >99.0%(GC) | 25ML |
¥990.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153348-5ML |
cis-1,3-Dimethylcyclohexane |
638-04-0 | >99.0%(GC) | 5ML |
¥385.00 | 2021-05-21 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | DT067-5ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 99.0%(GC) | 5ml |
¥460.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | DT067-1ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 99.0%(GC) | 1ml |
¥150.0 | 2022-05-30 | |
| TRC | D477868-1ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 1ml |
$75.00 | 2023-05-18 | ||
| TRC | D477868-2.5ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 2.5ml |
$133.00 | 2023-05-18 | ||
| TRC | D477868-5ml |
cis-1,3-Dimethylcyclohexane |
638-04-0 | 5ml |
$207.00 | 2023-05-18 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X66335-1ml |
CIS-1,3-DIMETHYLCYCLOHEXANE |
638-04-0 | ≥99% | 1ml |
¥128.0 | 2023-09-05 |
cis-1,3-Dimethylcyclohexane Suppliers
cis-1,3-Dimethylcyclohexane Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
Additional information on cis-1,3-Dimethylcyclohexane
Introduction to cis-1,3-Dimethylcyclohexane (CAS No. 638-04-0)
cis-1,3-Dimethylcyclohexane, with the chemical formula C?H??, is a cyclic alkane that belongs to the class of saturated hydrocarbons. This compound is characterized by its unique cis configuration, where the two methyl groups are positioned on the same side of the cyclohexane ring. The CAS number 638-04-0 uniquely identifies this molecule in scientific and industrial contexts, ensuring precise classification and communication within the chemical community.
The structural properties of cis-1,3-Dimethylcyclohexane make it a subject of interest in various fields, including organic synthesis, material science, and pharmaceutical research. Its stability and symmetry contribute to its utility as a building block in more complex molecular architectures. Recent advancements in computational chemistry have enabled researchers to predict its behavior with greater accuracy, facilitating the design of novel derivatives with tailored properties.
In the realm of pharmaceutical research, cis-1,3-Dimethylcyclohexane has been explored as a potential intermediate in the synthesis of bioactive compounds. Its rigid cyclohexane core can mimic natural steroidal structures, making it a valuable scaffold for drug development. For instance, studies have demonstrated its role in creating analogs that exhibit anti-inflammatory or antimicrobial properties. These findings align with the broader trend toward rational drug design, where structural motifs inspired by natural products are leveraged to enhance therapeutic efficacy.
The industrial applications of cis-1,3-Dimethylcyclohexane extend beyond pharmaceuticals. It serves as a precursor in the production of specialty chemicals and polymers. Its ability to undergo selective reactions while maintaining structural integrity makes it useful in synthesizing high-performance materials. Additionally, researchers have investigated its potential as a solvent or additive in chemical processes, where its non-polar nature and stability under various conditions offer advantages.
Recent experimental studies have highlighted the reactivity of cis-1,3-Dimethylcyclohexane under different catalytic systems. For example, palladium-catalyzed cross-coupling reactions have been employed to introduce functional groups at specific positions on the cyclohexane ring. These modifications have opened new avenues for creating derivatives with enhanced biological activity or material properties. Such innovations underscore the compound's versatility and its significance in modern synthetic chemistry.
The environmental impact of cis-1,3-Dimethylcyclohexane has also been a point of discussion among researchers. While it is not classified as hazardous or toxic under standard conditions, its persistence in certain environments raises questions about its long-term effects. Efforts are underway to develop sustainable synthetic routes that minimize waste and energy consumption. These initiatives reflect the growing emphasis on green chemistry principles within the industry.
Future research directions for cis-1,3-Dimethylcyclohexane may include exploring its role in nanotechnology and advanced materials. Its molecular structure could be engineered to create novel nanocarriers for drug delivery or to enhance the performance of liquid crystals used in electronic displays. As computational methods improve and experimental techniques evolve, the potential applications of this compound are likely to expand further.
In conclusion,cis-1,3-Dimethylcyclohexane (CAS No. 638-04-0) is a multifaceted compound with significant implications across multiple scientific disciplines. Its unique structural features and reactivity make it a valuable asset in pharmaceutical development, material science, and industrial chemistry. Continued investigation into its properties and applications will undoubtedly yield further insights and innovations.
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