Bromotris(dimethylamino)phosphonium Hexafluorophosphate - ≥98% , CAS No.50296-37-2

CAS: 50296-37-2 Cat. No.: B113336 Molecular Weight: 388.07 EC Number: 634-865-6 PubChem CID: 10221847

GRADE & PURITY ≥98%

Synonyms

AC-24864 | AM83813 | BroP | Bromotris(dimethylamino)phosphonium hexafluorophosphate | bromo-tris(dimethylamino)phosphonium hexafluorophosphate | XELPBWPBGHCIKX-UHFFFAOYSA-N | FT-0658922 | bromanyl-tris(dimethylamino)phosphanium hexafluorophosphate | Bromo

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

Conjugate addition of nitroalkanes to an acrylate equivalent A novel polymer supported approach to nucleoside modification Asymmetric hydrogenations Peptide coupling Pyrrolidine hydroxylation Synthesis of cyclic PNA-based compound directed against HIV-1 TAR RNA

Reagent for: Conjugate addition of nitroalkanes to an acrylate equivalent A novel polymer supported approach to nucleoside modification Asymmetric hydrogenations Peptide coupling Pyrrolidine hydroxylation Synthesis of cyclic PNA-based compound directed against HIV-1 TAR RNA

Specifications

Synonyms

AC-24864 | AM83813 | BroP | Bromotris(dimethylamino)phosphonium hexafluorophosphate | bromo-tris(dimethylamino)phosphonium hexafluorophosphate | XELPBWPBGHCIKX-UHFFFAOYSA-N | FT-0658922 | bromanyl-tris(dimethylamino)phosphanium hexafluorophosphate | Bromo

Specifications & Purity

≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196593
• Canonical Smiles: CN(C)[P+](N(C)C)(N(C)C)Br.F[P-](F)(F)(F)(F)F
• IUPAC Name: bromo-tris(dimethylamino)phosphanium;hexafluorophosphate
• InChIKey: XELPBWPBGHCIKX-UHFFFAOYSA-N
• INCHI: 1S/C6H18BrN3P.F6P/c1-8(2)11(7,9(3)4)10(5)6;1-7(2,3,4,5)6/h1-6H3;/q+1;-1
• Isomeric SMILES: CN(C)[P+](N(C)C)(N(C)C)Br.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 10221847
• UN Number: 3263
• Molecular Weight: 388.07
• Reaxy-Rn: 14221932

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organonitrogen compounds
• Alternative Parents: Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
• 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

• Melt Point(°C): ＞300℃
• Molecular Weight: 388.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 387.006 Da
• Monoisotopic Mass: 387.006 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 168.000
• 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

References

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3. Minghua Chen, Wannian Liu, Yixin Wu, Yulong Liu, Yang Wang, Zhen Chen.  (2024)  Li6.25Al0.25La3Zr1.75Nb0.25O12 Nanofiber Fillers Reinforced PVDF-HFP-Based Bilayer Composite Solid-State Electrolytes.  Batteries & Supercaps,      [PMID:] [10.1002/batt.202400379]

4. Changhao Tian, Mengyuan Song, Haoyang Yuan, Wenjun Lin, Chao Ai, Huajun Cao, Tao Huang, Aishui Yu.  (2024)  Rational design of a double-layer Janus solid electrolyte for high voltage lithium metal battery.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.234920]