1-Decyl-3-methylimidazolium tetrafluoroborate - ≥96.5%(HPLC) , CAS No.244193-56-4

CAS: 244193-56-4 Cat. No.: D168962 Molecular Weight: 310.18 EC Number: 627-902-2 PubChem CID: 11461044

GRADE & PURITY ≥96.5%(HPLC)

Synonyms

DTXSID4047915 | 1-decyl-3-methylimidazol-3-ium;tetrafluoroborate | C14H27BF4N2 | SY067068 | DTXCID1027891 | 1-DECYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE [DMIm]BF4 | SCHEMBL383271 | 1-decyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide | 1-Decyl-3-meth

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1-Decyl-3-methylimidazolium tetrafluoroborate is an ionic liquid, which can be used as:
A clathrate hydrate crystal inhibitor in drilling fluid.
A microextraction solvent in the determination of synthetic dyes in foods and cosmetics.
A substrate in the host-guest inclusion complexation studies with β-cyclodextrin.

Specifications

Synonyms

DTXSID4047915 | 1-decyl-3-methylimidazol-3-ium;tetrafluoroborate | C14H27BF4N2 | SY067068 | DTXCID1027891 | 1-DECYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE [DMIm]BF4 | SCHEMBL383271 | 1-decyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide | 1-Decyl-3-meth

Specifications & Purity

≥96.5%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96.5%(HPLC)

Names and Identifiers

• Pubchem Sid: 504766451
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766451
• Canonical Smiles: [B-](F)(F)(F)F.CCCCCCCCCCN1C=C[N+](=C1)C
• IUPAC Name: 1-decyl-3-methylimidazol-3-ium;tetrafluoroborate
• InChIKey: QGUMDWFYJYXDTH-UHFFFAOYSA-N
• INCHI: 1S/C14H27N2.BF4/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)5/h12-14H,3-11H2,1-2H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CCCCCCCCCCN1C=C[N+](=C1)C
• WGK Germany: 3
• PubChem CID: 11461044
• Molecular Weight: 310.18

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Refractive Index: 1.43
• Melt Point(°C): -4 °C
• Molecular Weight: 310.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 310.22 Da
• Monoisotopic Mass: 310.22 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 178.000
• 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. Wenhao Li, Kaibin Lin, Lei Chen, Dongsheng Yang, Qi Ge, Zhaolong Wang.  (2023)  Self-Powered Wireless Flexible Ionogel Wearable Devices.  ACS Applied Materials & Interfaces,      [PMID:36881511] [10.1021/acsami.2c19744]

2. Ran Zhao, Yixuan Wang, Jiexin Li, Wuyi Xiao, Wei Chen, Maosheng Ye, Desong Wang, Jianmin Gu, Shutao Wang, Jingxin Meng.  (2024)  Interfacial energy-mediated stability of liquid barrier for sustainable and efficient anti-clogging of urinary catheter.  Nano Today,      [PMID:] [10.1016/j.nantod.2024.102412]