Dibromobis(triphenylphosphine)nickel(II) - ≥99% , CAS No.14126-37-5

CAS: 14126-37-5 Cat. No.: D102044 Molecular Weight: 743.07 EC Number: 628-538-7

GRADE & PURITY ≥99%

Synonyms

AKOS015904058 | Dibromobis(triphenylphosphine)nickel(II), 99% | Nickel, dibromobis(triphenylphosphine)- (6CI,7CI,8CI,9CI) | SCHEMBL196810 | NiBr2(PPh3)2 | DTXSID40453273 | NICKEL(II) BROMIDE BIS(TRIPHENYLPHOSPHINE) | Bis(triphenylphosphine)nickel(II)bromi

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

As a polymerization catalyst ,Catalysts for the cross-coupling reactions, C-X bond reduction, homocoupling of Csp2 halides, displacement of aryl halides, and oligomerization of dienes

Specifications

Synonyms

AKOS015904058 | Dibromobis(triphenylphosphine)nickel(II), 99% | Nickel, dibromobis(triphenylphosphine)- (6CI, 7CI, 8CI, 9CI) | SCHEMBL196810 | NiBr2(PPh3)2 | DTXSID40453273 | NICKEL(II) BROMIDE BIS(TRIPHENYLPHOSPHINE) | Bis(triphenylphosphine)nickel(II)bromi

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504765930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765930
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni](Br)Br
• IUPAC Name: dibromonickel;triphenylphosphane
• InChIKey: QEKXARSPUFVXIX-UHFFFAOYSA-L
• INCHI: 1S/2C18H15P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni](Br)Br
• WGK Germany: 3
• UN Number: 1759
• Molecular Weight: 743.07
• Reaxy-Rn: 3717595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Organic metal halides Organic metal bromide salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic metal halide - Organic metal bromide salt - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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: Heat sensitive;Moisture sensitive
• Melt Point(°C): 219-223°C
• Molecular Weight: 743.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 741.952 Da
• Monoisotopic Mass: 739.954 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 204.000
• 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: 3

XLogP3

References

1. Jia Hongnan, Yao Na, Jin Yiming, Wu Liqing, Zhu Juan, Luo Wei.  (2024)  Stabilizing atomic Ru species in conjugated sp2 carbon-linked covalent organic framework for acidic water oxidation.  Nature Communications,  15  (1): (1-13).  [PMID:38926414] [10.1038/s41467-024-49834-5]