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

CAS: 203389-28-0 Cat. No.: B120504 Peso molecular: 223.02 Número EC: 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

Sinónimos

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-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192500
• Sonrisas canónicas: [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
• Isómeros SMILES: [B-](F)(F)(F)F.CCCC[N+]1=CC=CC=C1
• PubChem CID: 2734180
• Peso molecular: 223.02
• Reaxy-Rn: 8803902

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.4450 to 1.4490
• Peso molecular: 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

Referencias

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]