1-Methyl-3-octylimidazolium tetrafluoroborate - ≥98% , CAS No.244193-52-0

CAS: 244193-52-0 Cat. No.: M101530 Peso molecular: 282.13 Número EC: 801-285-1 PubChem CID: 11460221

GRADE & PURITY ≥98%

Synonyms

OMIMBF4 | 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate | 1-Methyl-3-octylimidazolium tetrafluoroborate, >=97.0% (HPLC) | 1-Methyl-3-octylimidazolium tetrafluoroborate [OMIM] [BF4] | 1H-Imidazolium, 1-methyl-3-octyl-, tetrafluoroborate(1-) (1:1) | AC86

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Enzyme catalysis in ionic liquids: lipase-catalyzed kinetic resolution; phase behaviour；for argon

Specifications

Sinónimos

OMIMBF4 | 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate | 1-Methyl-3-octylimidazolium tetrafluoroborate, >=97.0% (HPLC) | 1-Methyl-3-octylimidazolium tetrafluoroborate [OMIM] [BF4] | 1H-Imidazolium, 1-methyl-3-octyl-, tetrafluoroborate(1-) (1:1) | AC86

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766449
• Sonrisas canónicas: [B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C
• IUPAC Name: 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate
• InChIKey: GXZCAMSPWNHTAE-UHFFFAOYSA-N
• INCHI: 1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C
• WGK Alemania: 3
• PubChem CID: 11460221
• Peso molecular: 282.13
• Reaxy-Rn: 8369411

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

A498 (42825 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.;Air sensitive
• Índice de refracción: 1.43
• Peso molecular: 282.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 282.189 Da
• Monoisotopic Mass: 282.189 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 155.000
• 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

Referencias

1. 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]

2. Xiaopo Wang, Yao Zhang, Dongbo Wang, Yanjun Sun.  (2017)  Phase Equilibria of trans-1,3,3,3-Tetrafluoropropene with Three Imidazolium Ionic Liquids.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.7b00047]

3. Wei Chen, Ying Wei, Xinyi Ge, Shuangqing Li, Xinyuan Zhang, Zhong-Xia Wang, Zheng Xing, Qingguo Zhang, Xiang Liu.  (2024)  Insight of alkyl imidazolium tetrafluoroborate ionic gels as supercapacitors and motion sensors: Effects of alkyl chain length and intermolecular interactions.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.234224]

4. Yi Zhang, Haoxu Si, Zhengyi Dai, Wei Zhang, Bo Hao, Cuiping Li, Jingwei Zhang, Chunhong Gong.  (2024)  Subwavelength-scale graphene aerogel powders for efficient microwave absorption composites with improved mechanical strength.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.159118]

5. Chenzhao Wang, Xiujuan Wang, Xinru Gu, Hongmiao Sun, Xinxi Chen, Guoying Sun, Zhibing Wang.  (2025)  Multimodal detection method based on the peroxidase-like activity and fluorescent properties of cerium-doped carbon dots for sensitive detection of phosphatidylethanolamine in food.  FOOD CHEMISTRY,      [PMID:40945258] [10.1016/j.foodchem.2025.146353]

6. 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]