1-Methyl-3-propylimidazolium Tetrafluoroborate - ≥98% , CAS No.244193-48-4

CAS: 244193-48-4 Cat. No.: M303176 Molecular Weight: 212 EC Number: 801-420-4 PubChem CID: 11171853

GRADE & PURITY ≥98%

Synonyms

FT-0768251 | 1H-IMIDAZOLIUM, 1-METHYL-3-PROPYL-, TETRAFLUOROBORATE(1-) | NCGC00260204-01 | 1-Methyl-3-propyl-1H-imidazol-3-ium Tetrafluoroborate | Tox21_202656 | CAS-244193-48-4 | M3036 | 1-Methyl-3-propylimidazolium tetrafluoroborate | 1-Methyl-3-propyli

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0768251 | 1H-IMIDAZOLIUM, 1-METHYL-3-PROPYL-, TETRAFLUOROBORATE(1-) | NCGC00260204-01 | 1-Methyl-3-propyl-1H-imidazol-3-ium Tetrafluoroborate | Tox21_202656 | CAS-244193-48-4 | M3036 | 1-Methyl-3-propylimidazolium tetrafluoroborate | 1-Methyl-3-propyli

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766118
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766118
• Canonical Smiles: [B-](F)(F)(F)F.CCCN1C=C[N+](=C1)C
• IUPAC Name: 1-methyl-3-propylimidazol-1-ium;tetrafluoroborate
• InChIKey: XFTQQJUVYZPNRC-UHFFFAOYSA-N
• INCHI: 1S/C7H13N2.BF4/c1-3-4-9-6-5-8(2)7-9;2-1(3,4)5/h5-7H,3-4H2,1-2H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CCCN1C=C[N+](=C1)C
• PubChem CID: 11171853
• Molecular Weight: 212

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.42
• Melt Point(°C): 17°C(lit.)
• Molecular Weight: 212.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 212.111 Da
• Monoisotopic Mass: 212.111 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 102.000
• 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. Jian Tang, Haodong Hu, Ralph H. Colby, Quan Chen.  (2024)  Convenient Protocol for Preparing Hydrogels with Temperature-Insensitive Swellability.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c01197]