1-Hexyl-3-methylimidazolium hexafluorophosphate - ≥97% , CAS No.304680-35-1

CAS: 304680-35-1 Cat. No.: H102651 Molecular Weight: 312.24 Beilstein Registry Number: 8955409 EC Number: 629-544-2 PubChem CID: 2734175

GRADE & PURITY ≥97%

Synonyms

AS-10540 | NCGC00258289-01 | H1098 | 1-hexyl-3-methylimidazol-3-ium;hexafluorophosphate | 1-Hexyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate(V) | SCHEMBL21798545 | DTXCID6027925 | DTXSID6047949 | SY039373 | 1-Hexyl-3-methylimidazolium hexafluorophosph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

1-Hexyl-3-methylimidazolium hexafluorophosphate is an Ionic liquid employed in Friedel-Crafts alkylation of aromatic compounds, as well as polarity of salt.

Specifications

Synonyms

AS-10540 | NCGC00258289-01 | H1098 | 1-hexyl-3-methylimidazol-3-ium;hexafluorophosphate | 1-Hexyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate(V) | SCHEMBL21798545 | DTXCID6027925 | DTXSID6047949 | SY039373 | 1-Hexyl-3-methylimidazolium hexafluorophosph

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;hexafluorophosphate
• InChIKey: YPWSSSRXUOQNMQ-UHFFFAOYSA-N
• INCHI: 1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1
• Isomeric SMILES: CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 2734175
• Molecular Weight: 312.24
• Beilstein: 8955409
• Reaxy-Rn: 8955409

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.4165-1.4200
• Melt Point(°C): -73.5°C
• Molecular Weight: 312.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 312.119 Da
• Monoisotopic Mass: 312.119 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Huan Yang, Hairong Dai, Xuerui Wan, Dandan Shan, Qiuping Zhang, Jian Li, Qian Xu, Chunmin Wang.  (2023)  Simultaneous determination of multiple mycotoxins in corn and wheat by high efficiency extraction and purification based on polydopamine and ionic liquid bifunctional nanofiber mat.  ANALYTICA CHIMICA ACTA,      [PMID:37257974] [10.1016/j.aca.2023.341361]

2. Huan Yang, Hairong Dai, Yinjie Chen, Xuerui Wan, Feng Li, Qian Xu.  (2023)  Efficient and simple simultaneous adsorption removal of multiple mycotoxins from environmental water.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123888]

3. Junyuan Hua, Xiaohua Ma, Wenhui Ji, Quan Li, Benqiao He, Zhenyu Cui, Xiaoping Liang, Feng Yan, Jianxin Li.  (2022)  Unveiling the mechanism of liquid-liquid extraction separation of Li+/Mg2+ using tributyl phosphate/ionic liquid mixed solvents.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.120080]

4. Chenhao Jiang, Hongye Cheng, Zexian Qin, Ruizhuan Wang, Lifang Chen, Chen Yang, Zhiwen Qi, Xiucai Liu.  (2020)  COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids.  Green Energy & Environment,      [PMID:] [10.1016/j.gee.2020.12.011]

5. Meseret Amde, Ayalew Temsgen, Nigussie Dechassa.  (2020)  Ionic liquid functionalized zinc oxide nanorods for solid-phase microextraction of aflatoxins in food products.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2020.103528]

6. Xiaofeng Li, Maohua Ma, Xuan Xin, Yuqian Tang, Guanglei Zhao, Xinglong Xiao.  (2019)  Efficient acylation of gastrodin by Aspergillus oryzae whole-cells in non-aqueous media.  RSC Advances,  9  (29): (16701-16712).  [PMID:35516375] [10.1039/C9RA01605H]

7. Wei Wu, Jun Xu, Xingwei Tang, Peiwen Xie, Xianghui Liu, Jingsan Xu, Han Zhou, Di Zhang, Tongxiang Fan.  (2018)  Two-Dimensional Nanosheets by Rapid and Efficient Microwave Exfoliation of Layered Materials.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.8b01976]

8. Yin Qinhong, Zhu Yanqin, Yang Yaling.  (2017)  Dispersive Liquid–Liquid Microextraction Followed by Magnetic Solid-Phase Extraction for Determination of Four Parabens in Beverage Samples by Ultra-performance Liquid Chromatography Tandem Mass Spectrometry.  Food Analytical Methods,  11  (3): (797-807).  [PMID:] [10.1007/s12161-017-1051-7]

9. Wang Meng, Cheng Chunsheng, Liu Chunbo, Yang Yaling.  (2017)  Hollow Fiber Supported Ionic Liquids Liquid-Phase Micro-extraction Followed by High-Performance Liquid Chromatography for the Determination of Polycyclic Aromatic Hydrocarbons in Milk Samples.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  56  (1): (74-80).  [PMID:28977478] [10.1093/chromsci/bmx075]

10. Jiao Zhao, Yan Zhu, Yang Jiao, Jinyan Ning, Yaling Yang.  (2016)  Ionic-liquid-based dispersive liquid–liquid microextraction combined with magnetic solid-phase extraction for the determination of aflatoxins B1, B2, G1, and G2 in animal feeds by high-performance liquid chromatography with fluorescence detection.  JOURNAL OF SEPARATION SCIENCE,  39  (19): (3789-3797).  [PMID:27500378] [10.1002/jssc.201600671]

11. Lin Wang, Chuanlei Luan, Fangfang Chen, Rui Wang, Lihua Shao.  (2015)  Determination of zearalenone in maize products by vortex-assisted ionic-liquid-based dispersive liquid–liquid microextraction with high-performance liquid chromatography.  JOURNAL OF SEPARATION SCIENCE,  38  (12): (2126-2131).  [PMID:25845463] [10.1002/jssc.201500184]

12. Meseret Amde, Zhi-Qiang Tan, Rui Liu, Jing-Fu Liu.  (2015)  Nanofluid of zinc oxide nanoparticles in ionic liquid for single drop liquid microextraction of fungicides in environmental waters prior to high performance liquid chromatographic analysis.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25857539] [10.1016/j.chroma.2015.03.049]

13. Xie Qilong, Liu Shuhui, Fan Yingying, Zhang Xiaoke.  (2013)  Development of a Dispersive Liquid–Liquid Microextraction Method for the Determination of α-Tocopherol in Pigmented Wheat by High-Performance Liquid Chromatography.  Food Analytical Methods,  7  (1): (21-30).  [PMID:] [10.1007/s12161-013-9592-x]

14. Jintao He, Junyuan Hua, Xiaohua Ma, Ranil Wickramasinghe, Jianxin Li.  (2024)  A mixed solvent system of amino crown ether and ionic liquids for a high-efficient extraction of cesium.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125868]

15. Yaqi Liu, Han Quan, Huo Yanyan, Yang Xiaohui.  (2024)  Determination of Trace Cobalt in Water Samples by Ionic Liquid-Dispersive Liquid–Liquid Microextraction and Graphite Furnace Atomic Absorption Spectrometry.  Journal of Water Chemistry and Technology,  46  (5): (480-490).  [PMID:] [10.3103/S1063455X24050102]

16. Huimin Xue, Guidong Li, Lifei Liu, Tong Feng, Chun Li, Jiayang Sui, Weizhen Zhao.  (2024)  Tacticity Control in the Bulk Free Radical Polymerization of Methyl Methacrylate Utilizing Ionic Liquids.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127984]

17. Xiao-Chen Huang, Shou-Lian Wei, Su Yao, Yu-Tong Lin, Jin-Kui Ma.  (2025)  Rapid and Sensitive Determination of Fluoroquinolones in Tilapia Using a Cost-Effective UPLC-MS/MS Method Based on Dummy Molecularly Imprinted Polymers.  Talanta Open,      [PMID:] [10.1016/j.talo.2025.100474]

18. Li Liu, Shuaishuai Zhao, Bo Zhou, Zhihao Li, Zhiqiang Wang, Jinyun Wei, Yanfu Pi, Mengyi Xing, Junfeng Wang.  (2025)  Evaluation of the inhibitory efficacy of ionic liquids on asphaltene precipitation in crude oil.  JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01932691.2025.2519393]

19. Desheng Wu, Maohua Ma, Xiaohan Liu, Xiaofeng Li, Guanglei Zhao.  (2025)  Comparative Transcriptomics Reveals the Molecular Basis for Inducer-Dependent Efficiency in Gastrodin Propionylation by Aspergillus oryzae Whole-Cell Biocatalyst.  Biomolecules,  15  (12): (1695).  [PMID:41463351] [10.3390/biom15121695]

20. Huang Ziling, Yang Rongling, Zhao Xiangjie, Zhu Chun, Tong Yuli, Li Xiaoyan, Luo Hongzhen.  (2026)  Synergistic effects of ionic liquid-solvent systems on geniposide cinnamoylation catalyzed by whole-cell biocatalysts.  BIOPROCESS AND BIOSYSTEMS ENGINEERING,      [PMID:] [10.1007/s00449-026-03309-7]