1-Butylpyridinium chloride - ≥98% , CAS No.1124-64-7

CAS: 1124-64-7 Cat. No.: B102663 Molecular Weight: 171.66 EC Number: 620-019-3

GRADE & PURITY ≥98%

Synonyms

n-Butylpyridinium chloride | 1-butylpyridiniumchloride | DTXCID9011462 | BPCL | DTXSID1031462 | MFCD00060047 | 1-butylpyridin-1-ium;chloride | EC 620-019-3 | CAS-1124-64-7 | Butylpyridinium chloride | 1-butylpyridin-1-ium chloride | 1-Butylpyridinium Chlo

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

 Product Application：

The derivatives of 1-n-Butylpyridinium chloride is used in spent fuel reprocessing, particularly in the extraction of high-level radioactive aqueous waste from the processing of nuclear fuel. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Specifications

Synonyms

n-Butylpyridinium chloride | 1-butylpyridiniumchloride | DTXCID9011462 | BPCL | DTXSID1031462 | MFCD00060047 | 1-butylpyridin-1-ium;chloride | EC 620-019-3 | CAS-1124-64-7 | Butylpyridinium chloride | 1-butylpyridin-1-ium chloride | 1-Butylpyridinium Chlo

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192494
• Canonical Smiles: CCCC[N+]1=CC=CC=C1.[Cl-]
• IUPAC Name: 1-butylpyridin-1-ium;chloride
• InChIKey: POKOASTYJWUQJG-UHFFFAOYSA-M
• INCHI: 1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+]1=CC=CC=C1.[Cl-]
• Molecular Weight: 171.66
• Reaxy-Rn: 3727073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3727073&ln=

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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - 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

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 133 °C
• Molecular Weight: 171.670 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 171.081 Da
• Monoisotopic Mass: 171.081 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 74.800
• 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. Guifen Zhu, Wanwan Li, Li Wang, Peiyun Wang, Dongyang Shi, Jianji Wang, Jing Fan.  (2019)  Using ionic liquid monomer to improve the selective recognition performance of surface imprinted polymer for sulfamonomethoxine in strong polar medium.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30709623] [10.1016/j.chroma.2019.01.053]

2. Guifen Zhu, Guohao Cheng, Peiyun Wang, Wanwan Li, Yicong Wang, Jing Fan.  (2019)  Water compatible imprinted polymer prepared in water for selective solid phase extraction and determination of ciprofloxacin in real samples.  TALANTA,      [PMID:31036189] [10.1016/j.talanta.2019.03.070]