1-Ethylpyridinium bromide - ≥99% , CAS No.1906-79-2

CAS: 1906-79-2 Cat. No.: E102661 Molecular Weight: 188.06 EC Number: 217-607-3

GRADE & PURITY ≥99%

Synonyms

FT-0607764 | Pyridinium, 1-ethyl-, bromide | A813427 | AI3-52378 | EINECS 217-607-3 | 1-ethylpyridin-1-ium bromide | 1-ETHYLPYRIDINIUM BROMIDE | AS-12151 | NCGC00260243-01 | CAS-1906-79-2 | 1-ethylpyridin-1-iumbromide | Ethylpyridinium bromide | DTXSID004

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

FT-0607764 | Pyridinium, 1-ethyl-, bromide | A813427 | AI3-52378 | EINECS 217-607-3 | 1-ethylpyridin-1-ium bromide | 1-ETHYLPYRIDINIUM BROMIDE | AS-12151 | NCGC00260243-01 | CAS-1906-79-2 | 1-ethylpyridin-1-iumbromide | Ethylpyridinium bromide | DTXSID004

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504752722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752722
• Canonical Smiles: CC[N+]1=CC=CC=C1.[Br-]
• IUPAC Name: 1-ethylpyridin-1-ium;bromide
• InChIKey: ABFDKXBSQCTIKH-UHFFFAOYSA-M
• INCHI: 1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CC[N+]1=CC=CC=C1.[Br-]
• Molecular Weight: 188.06
• Reaxy-Rn: 4160933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4160933&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 bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 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 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

• Sensitivity: Hygroscopic.
• Melt Point(°C): 117-121°C
• Molecular Weight: 188.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187 Da
• Monoisotopic Mass: 187 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.400
• 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

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