Ammonium hexafluorophosphate

Base Information

• Chemical Name: Ammonium hexafluorophosphate
• CAS No.: 16941-11-0
• Molecular Formula: NH4PF6
• Molecular Weight: 163.00
• Hs Code.: 28269090
• European Community (EC) Number: 241-009-1
• UNII: NS308031PJ
• DSSTox Substance ID: DTXSID00884948
• Wikipedia: Ammonium hexafluorophosphate,Ammonium_hexafluorophosphate
• Wikidata: Q2681631
• Mol file: 16941-11-0.mol

Synonyms:ammonium hexafluorophosphate

Chemical Property of Ammonium hexafluorophosphate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 198 °C
• PSA: 13.59000
• Density: 2.18 g/mL at 25 °C(lit.)
• LogP: 3.75860
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: H2O: 50 mg/mL, clear, colorless
• Water Solubility.: 74.8 g/100 mL (20 ºC)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 162.99855510
• Heavy Atom Count: 8
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

Ammonium hexafluorophosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Fluorides, Inorganic
• Canonical SMILES: [NH4+].F[P-](F)(F)(F)(F)F
• General Description: Ammonium hexafluorophosphate (NH4PF6) is a chemical compound used in synthetic chemistry, particularly as a reagent for precipitation reactions and in the preparation of imidazolium salts for N-heterocyclic carbene (NHC) complexes. It serves as a non-hygroscopic and stable alternative in condensation reactions, such as in the synthesis of 2-arylamino-5-formylpyrimidines, and plays a role in the formation of lithium carbene complexes with unique structural motifs. Its applications highlight its utility in facilitating heterocyclic synthesis and advancing organometallic chemistry.

Refernces

Synthesis of 2-arylamino-5-formyl-pyrimidines from the bis(hexafluorophosphate) Arnold salt

10.1177/1747519820911271

This study focused on the development of a three-step synthetic method for 2-arylamino-5-formylpyrimidines, which are an important building block for the preparation of various carbocyclic and heterocyclic rings in organic chemistry. The study aimed to improve on previous methods by utilizing bis(hexafluorophosphate) Arnold salt (1d), a safer, non-hygroscopic alternative to other Arnold salts, in the condensation reaction with N-arylguanidines. The researchers successfully synthesized a series of pyrimidine derivatives in moderate to good yields, demonstrating the potential use of bis(hexafluorophosphate) Arnold salt 1d in heterocyclic synthesis. The key chemicals used in the process included malonic acid as a starting material, aqueous ammonium hexafluorophosphate for precipitation of vinyl amidine salts, and various N-arylguanidines synthesized via a two-step method involving N,N′-bis-Boc-1H-pyrazole-1-carboxamidine and aromatic amines.

New structural motifs of lithium N-heterocyclic carbene complexes with bis(3-tert-butylimidazol-2-ylidene)dialkylborate Ligands

10.1021/om801097f

The research explores the synthesis and structural characterization of two unprecedented lithium carbene complexes using bidentate, anionic bis(3-tert-butylimidazol-2-ylidene)dialkylborate N-heterocyclic ligands. The study focuses on the development of a novel synthetic approach to create these complexes, which have unique bonding patterns not previously observed in lithium N-heterocyclic carbene (NHC) chemistry. The chemicals that played a crucial role in this research include N-tert-butyimidazole, Ph2BCl, Me2BBr, ammonium hexafluorophosphate (NH4PF6), and n-butyllithium (n-BuLi). These compounds were used to synthesize the imidazolium salts and subsequently the lithium carbene complexes through deprotonation reactions. The resulting complexes, [(BIMtBuBPh2)Li(OEt2)] (4a) and μ2-κC2:κC2′-[(BIMtBuBMe2)2Li2] (4b), were characterized using spectroscopic methods and single-crystal X-ray diffraction, revealing distinct structural motifs that contribute to the understanding of lithium carbene chemistry and its potential applications in catalysis.