Tetrakis(triphenylphosphite)nickel(0) - ≥95% , CAS No.14221-00-2

CAS: 14221-00-2 Cat. No.: T348890 Molecular Weight: 1303.86 EC Number: 622-848-6 PubChem CID: 11979965

GRADE & PURITY ≥95%

Synonyms

Nickel tetrakis(triphenoxyphosphine) | tetrakis(triphenyl phosphite)nickel(0) | Tetrakis(triphenylphosphite)nickel(0) | nickel;triphenyl phosphite | MFCD00010007 | Nickel, tetrakis(triphenyl phosphite-kappaP)-, (T-4)- | SY072739 | Nickel, tetrakis(triphen

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application

Catalyst for alkene and alkyne hydrocyanation and styrenedimerization

Specifications

Synonyms

Nickel tetrakis(triphenoxyphosphine) | tetrakis(triphenyl phosphite)nickel(0) | Tetrakis(triphenylphosphite)nickel(0) | nickel;triphenyl phosphite | MFCD00010007 | Nickel, tetrakis(triphenyl phosphite-kappaP)-, (T-4)- | SY072739 | Nickel, tetrakis(triphen

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766859
• Canonical Smiles: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Ni]
• IUPAC Name: nickel;triphenyl phosphite
• InChIKey: PGXCIAAANFTEKX-UHFFFAOYSA-N
• INCHI: 1S/4C18H15O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*1-15H
• Isomeric SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Ni]
• WGK Germany: 3
• PubChem CID: 11979965
• Molecular Weight: 1303.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Organic phosphites Organic transition metal salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Organic phosphite - Organic transition metal salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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: air sensitive
• Melt Point(°C): 145° C (dec.)
• Molecular Weight: 1299.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 24
• Exact Mass: 1298.24 Da
• Monoisotopic Mass: 1298.24 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 89
• Formal Charge: 0
• Complexity: 247.000
• 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: 5

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