BMIMPF6 - ≥97% , CAS No.174501-64-5

CAS: 174501-64-5 Cat. No.: B107646 Formula: C₈H₁₅N₂F₆P Molecular Weight: 284.18 EC Number: 678-095-9 PubChem CID: 2734174

GRADE & PURITY ≥97%

Synonyms

1-Butyl-3-methylimidazolium hexafluorophosphate, for catalysis, >=98.5% (T) | 1-n-Butyl-3-methylimidazolium hexafluorophosphate | 1-Butyl-3-methylimidazolium hexafluorophosphate | DTXCID7027887 | 1-Butyl-3-methyl-1H-imidazol-3-iumhexafluorophosphate(V) |

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

1-Butyl-3-methylimidazolium hexafluorophosphate is a high-purity ionic liquid (HPIL) with low water and halogen content, which makes it an effective solvent for transition-metal-catalyzed reactions. Some of its other advantageous properties include hydrophobicity and lack of vapor pressure. 1-Butyl-3-methylimidazolium hexafluorophosphate is an imidazolium-based, hydrophobic, room temperature ionic liquid (RTIL).It can be prepared by reacting 1-methylimidazole with chlorobutane.Gaseous hydrofluorocarbons (HFCs) such as fluoromethane, fluoroethane and 1,1,2,2-tetrafluoroethane are soluble in BMIMPF6
Ionic liquid employed in many environmentally friendly reactions

Specifications

Synonyms

1-Butyl-3-methylimidazolium hexafluorophosphate, for catalysis, >=98.5% (T) | 1-n-Butyl-3-methylimidazolium hexafluorophosphate | 1-Butyl-3-methylimidazolium hexafluorophosphate | DTXCID7027887 | 1-Butyl-3-methyl-1H-imidazol-3-iumhexafluorophosphate(V) |

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488192495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192495

Canonical Smiles

CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

IUPAC Name

1-butyl-3-methylimidazol-3-ium;hexafluorophosphate

InChIKey

IXQYBUDWDLYNMA-UHFFFAOYSA-N

INCHI

1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

WGK Germany

3

PubChem CID

2734174

Molecular Weight

284.18

Reaxy-Rn

8026031

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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: Miscible with dichloromethane, chloroform, ethyl acetate. Immiscible with water, diethyl ether and hexane.
• Sensitivity: Hygroscopic
• Refractive Index: 1.411
• Boil Point(°C): >350°C
• Melt Point(°C): 6.5°C
• Molecular Weight: 284.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 284.088 Da
• Monoisotopic Mass: 284.088 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 156.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 174501-64-5, the molecular formula is C8H15F6N2P, and the molecular weight is 284.18 g/mol. InChIKey IXQYBUDWDLYNMA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.