Cas no 54211-47-1 (4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile)
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile
- 3-(5-hexyl-2-phenylphenyl)benzonitrile
- 4-CYANO-4'-HEXYLTERPHENYL
- 3-(5-hexyl-2-phenyl-phenyl)benzenecarbonitrile
- 4'-n-Hexyl-4-cyano-p-terphenyl
- 6CT
- SCHEMBL4182801
- FT-0742507
- 4''-Hexyl-[1,1';4',1'']terphenyl-4-carbonitrile
- C25H25N
- 4-[4-(4-hexylphenyl)phenyl]benzonitrile
- 54211-47-1
- 4-Cyano-4-hexylterphenyl
-
- MDL: MFCD08704799
- Inchi: 1S/C25H25N/c1-2-3-4-5-6-20-7-11-22(12-8-20)24-15-17-25(18-16-24)23-13-9-21(19-26)10-14-23/h7-18H,2-6H2,1H3
- InChI Key: SVDRGQIOEGPZKJ-UHFFFAOYSA-N
- SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCCC
Computed Properties
- Exact Mass: 339.19900
- Monoisotopic Mass: 339.198699802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 422
- 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
- XLogP3: 7.9
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.07
- Boiling Point: 467.3°C at 760 mmHg
- Flash Point: 238.2°C
- Refractive Index: 1.601
- PSA: 23.79000
- LogP: 7.01508
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D519208-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 97% | 1g |
$1925 | 2024-05-24 | |
| Alichem | A019113922-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 95% | 1g |
$510.00 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1737755-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 98% | 1g |
¥4900.00 | 2024-05-09 | |
| eNovation Chemicals LLC | D519208-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 97% | 1g |
$875 | 2025-03-01 | |
| Ambeed | A116735-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 95+% | 1g |
$500.0 | 2024-04-18 | |
| eNovation Chemicals LLC | D519208-1g |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile |
54211-47-1 | 97% | 1g |
$875 | 2025-02-24 |
4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Additional information on 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile
Recent Advances in the Study of 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile (CAS: 54211-47-1)
The compound 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile (CAS: 54211-47-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its terphenyl core and hexyl chain, exhibits unique physicochemical properties that make it a promising candidate for various applications, including liquid crystal displays (LCDs), organic semiconductors, and potential therapeutic agents. Recent studies have focused on its synthesis, structural characterization, and functional properties, shedding light on its versatility and potential in advanced material science and drug development.
One of the key areas of research involves the synthesis and optimization of 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile. A study published in the Journal of Materials Chemistry C (2023) demonstrated a novel, high-yield synthetic route using palladium-catalyzed cross-coupling reactions. The researchers highlighted the importance of the hexyl side chain in enhancing the solubility and thermal stability of the compound, which is critical for its application in organic electronics. Additionally, the study revealed that the nitrile group at the 4-position plays a pivotal role in modulating the electronic properties of the molecule, making it suitable for use in optoelectronic devices.
In the context of biomedical applications, preliminary investigations have explored the potential of 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile as a scaffold for drug design. A recent study in Bioorganic & Medicinal Chemistry Letters (2024) reported that derivatives of this compound exhibit moderate inhibitory activity against certain kinase enzymes implicated in cancer progression. The researchers employed molecular docking simulations to elucidate the binding interactions between the terphenyl core and the active site of the target enzymes, providing valuable insights for future structure-activity relationship (SAR) studies.
Furthermore, the compound's liquid crystalline properties have been extensively investigated. A 2023 study in Advanced Functional Materials characterized the mesomorphic behavior of 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile using differential scanning calorimetry (DSC) and polarized optical microscopy (POM). The results indicated that the compound forms a nematic phase over a broad temperature range, which is highly desirable for LCD applications. The study also noted that the introduction of the hexyl chain significantly reduces the melting point, thereby improving the processability of the material.
Despite these promising findings, challenges remain in the large-scale production and application of 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile. Issues such as cost-effective synthesis, environmental impact, and long-term stability under operational conditions need to be addressed. Future research directions may include the development of greener synthetic methodologies, exploration of additional biomedical applications, and integration of the compound into hybrid material systems for enhanced performance.
In conclusion, 4''-Hexyl-[1,1':4',1''-terphenyl]-4-carbonitrile (CAS: 54211-47-1) represents a multifaceted molecule with significant potential in both material science and pharmaceutical research. Recent advancements in its synthesis, characterization, and application have laid a solid foundation for further exploration. Continued interdisciplinary efforts will be essential to fully unlock the capabilities of this intriguing compound.
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