1-Butyl-3-methylpyridinium Bromide - ≥98% , CAS No.26576-85-2

CAS: 26576-85-2 Cat. No.: B120507 Molecular Weight: 230.15 EC Number: 678-235-9

GRADE & PURITY ≥98%

Synonyms

MFCD01632121 | C93457 | CAS-26576-85-2 | AKOS015833017 | Tox21_202679 | N-butyl-3-metylpyridinium bromide | NCGC00260227-01 | N-BUTYL-3-METHYLPYRIDINIUM BROMIDE | AS-10288 | B3104 | 1-butyl-3-methylpyridin-1-iumbromide | DTXSID3049259 | J-016480 | Pyridin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD01632121 | C93457 | CAS-26576-85-2 | AKOS015833017 | Tox21_202679 | N-butyl-3-metylpyridinium bromide | NCGC00260227-01 | N-BUTYL-3-METHYLPYRIDINIUM BROMIDE | AS-10288 | B3104 | 1-butyl-3-methylpyridin-1-iumbromide | DTXSID3049259 | J-016480 | Pyridin

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197982
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197982
• Canonical Smiles: CCCC[N+]1=CC=CC(=C1)C.[Br-]
• IUPAC Name: 1-butyl-3-methylpyridin-1-ium;bromide
• InChIKey: GNPWBXOERPGDFI-UHFFFAOYSA-M
• INCHI: 1S/C10H16N.BrH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+]1=CC=CC(=C1)C.[Br-]
• Molecular Weight: 230.15
• Reaxy-Rn: 10715307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10715307&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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: Hygroscopic
• Molecular Weight: 230.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 229.047 Da
• Monoisotopic Mass: 229.047 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 101.000
• 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. Dan Gu, Yangyang Wang, Chi Cao, Haiping Xu, Yuan Zhang, Haiming Cheng, Huiyan Wang.  (2025)  Synthesis of ionic liquid-based hybrid manganese halides for high-resolution X-ray imaging.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144475]