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

CAS: 244193-52-0 Cat. No.: M101530 Molecular Weight: 282.13 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766449
• Canonical Smiles: [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
• Isomeric SMILES: [B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C
• WGK Germany: 3
• PubChem CID: 11460221
• Molecular Weight: 282.13
• Reaxy-Rn: 8369411

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 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
• 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

Associated Targets(Human)

A498 (42825 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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SNB-75 (44215 Activities)

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NCI-H23 (49055 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.;Air sensitive
• Refractive Index: 1.43
• Molecular Weight: 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

References

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]