1-Butylpyridinium Tetrafluoroborate - ≥98% , CAS No.203389-28-0

CAS: 203389-28-0 Cat. No.: B120504 Molecular Weight: 223.02 EC Number: 679-531-0 PubChem CID: 2734180

GRADE & PURITY ≥98%

Synonyms

1-butylpyridin-1-ium;tetrafluoroborate | AKOS005145791 | 21Z67U731K | C93442 | AS-10038 | C9H14BF4N | DTXSID9049241 | Tox21_202693 | CAS-203389-28-0 | XLWDQAHXRCBPEE-UHFFFAOYSA-N | A879705 | DTXCID1029097 | N-Butylpyridinium tetrafluoroborate | B3232 | 1-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-butylpyridin-1-ium;tetrafluoroborate | AKOS005145791 | 21Z67U731K | C93442 | AS-10038 | C9H14BF4N | DTXSID9049241 | Tox21_202693 | CAS-203389-28-0 | XLWDQAHXRCBPEE-UHFFFAOYSA-N | A879705 | DTXCID1029097 | N-Butylpyridinium tetrafluoroborate | B3232 | 1-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192500
• Canonical Smiles: [B-](F)(F)(F)F.CCCC[N+]1=CC=CC=C1
• IUPAC Name: 1-butylpyridin-1-ium;tetrafluoroborate
• InChIKey: XLWDQAHXRCBPEE-UHFFFAOYSA-N
• INCHI: 1S/C9H14N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CCCC[N+]1=CC=CC=C1
• PubChem CID: 2734180
• Molecular Weight: 223.02
• Reaxy-Rn: 8803902

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - 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 pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

• Refractive Index: 1.4450 to 1.4490
• Molecular Weight: 223.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.116 Da
• Monoisotopic Mass: 223.116 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 93.900
• 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. Zongmin Hu, Chen Sun, Yimin Xuan.  (2025)  High-Temperature High-Voltage Thermal Charging Cells Enabled by Ca–Li Dual-Cationic Ionic Liquid Electrolytes and Anionophilic Separators.  ADVANCED MATERIALS,      [PMID:40317585] [10.1002/adma.202419477]