873-71-2

Basic information

• Product Name: 1-Propylpyridinium bromide
• Synonyms: PROPYLPYRIDINIUM BROMIDE;1-PROPYLPYRIDINIUM BROMIDE;1-PROPYLPYRIDINIUM BROMIDE 98%;PYRIDINIUM,1-PROPYL-,BROMIDE;1-Propylpyridinium bromide,98%;1-Propylpyridin-1-ium bromide
• CAS NO: 873-71-2
• Molecular Formula: C8H12BrN
• Molecular Weight: 202.09
• Mol File: 873-71-2.mol
• Article Data: 8

Chemical Properties

• Melting Point: 76-79 °C(lit.)
• Appearance: light yellow chunks
• Density: 1.3964 (rough estimate)
• Refractive Index: 1.5760 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-Propylpyridinium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propylpyridinium bromide(873-71-2)
• EPA Substance Registry System: 1-Propylpyridinium bromide(873-71-2)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• Hazardous Substances Data: 873-71-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H12N.BrH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1

Upstream product

• 110-86-1 pyridine 
• 106-94-5 propyl bromide 

Relevant articles and documents

Synthesis, Characterization, and Physicochemical Properties of Hydrophobic Pyridinium-based Ionic Liquids with N-Propyl and N-Isopropyl

Synthesis and physicochemical properties of four pyridinium-based ionic liquids (ILs), N-propylpyridinium bromide [N-propylPyr]+[Br]–, N-isopropylpyridinium bromide [N-isopropylPyr]+[Br]–, N-propylpyridinium hexafluorophosphate [N-propylPyr]+[PF6]–, and N-isopropylpyridinium hexafluorophosphate [N-isopropylPyr]+[PF6]– are reported. The molecular structures of these compounds were characterized by FT-IR, 1H, 19F, and 31P NMR, spectroscopy. The thermal properties, conductivity, and solubility of these ionic liquids were also investigated. The effects of propyl and isopropyl alkyl lateral chain at the N-position of pyridinium cation on the thermal stability, conductivity, and solubility of ionic liquids are discussed. The results obtained confirmed that the ionic liquids based on pyridinium cations exhibit higher decomposition temperature, low melting points, immiscible with water, and their conductivities are mainly influenced by mobility of ions.

Bromobismuthates: Cation-induced structural diversity and Hirshfeld surface analysis of cation–anion contacts

Reactions of [BiBr6]3? and bromide salts of various substituted pyridinium cations in excess of HBr result in a series of bromobismuthate anionic complexes of various geometry and nuclearity: [{BiBr4}n]n?, [Bi2Br9]3? and [Bi2Br10]4?. Hirshfeld surface analysis for 19 crystal structure was performed; impact of various X-Br contacts on the crystal structures is discussed.

Does alkyl chain length really matter? Structure-property relationships in thermochemistry of ionic liquids

DSC was used for determination of reaction enthalpies of synthesis of ionic liquids [Cnmim][Cl]. A combination of DSC with quantum chemical calculations presents an indirect way to study thermodynamics of ionic liquids. The indirect procedure for vaporization enthalpy was validated with the direct experimental measurements by using thermogravimetry. First-principles calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the CBS-QB3 and G3 (MP2) theory. Experimental DSC data for homologous series of alkyl substituted imidazolium, pyridinium, and pyrrolidinium based ionic liquids with anions [Cl] and [Br] were collected from the literature. We have shown that enthalpies of formation, enthalpies of vaporization, and lattice potential energies are linearly dependant on the alkyl chain length. The thermochemical properties of ILs generally obey the group additivity rules and the values of the additivity parameters for enthalpies of formation and vaporization seem to be very close to those for molecular compounds.