Dichlorobis(triphenylphosphine)cobalt(II) - ≥98% , CAS No.14126-40-0

CAS: 14126-40-0 Cat. No.: D134292 Molecular Weight: 654.41 PubChem CID: 6102222

GRADE & PURITY ≥98%

Synonyms

Bis(triphenylphosphine)cobalt(II) chloride | F16616 | SY072657 | J-007472 | Dichlorobis(triphenylphosphine)cobalt(II) | Dichlorobis(triphenylphosphine)cobalt(II), 98% | OPRPFIIIFJLFCE-UHFFFAOYSA-L | SCHEMBL666323 | dichlorocobalt;triphenylphosphane | AMY4

Storage

Room temperature

Shipped In

Normal

Overview

Usually used as catalyst for Epoxidation reactions,dimerization reactions.And also used as catalyst in Hydrovinylation of Styrene,cross-coupling reactions,oxidation reactions.

Specifications

Synonyms

Bis(triphenylphosphine)cobalt(II) chloride | F16616 | SY072657 | J-007472 | Dichlorobis(triphenylphosphine)cobalt(II) | Dichlorobis(triphenylphosphine)cobalt(II), 98% | OPRPFIIIFJLFCE-UHFFFAOYSA-L | SCHEMBL666323 | dichlorocobalt;triphenylphosphane | AMY4

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195685
• 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.Cl[Co]Cl
• IUPAC Name: dichlorocobalt;triphenylphosphane
• InChIKey: OPRPFIIIFJLFCE-UHFFFAOYSA-L
• INCHI: 1S/2C18H15P.2ClH.Co/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.Cl[Co]Cl
• PubChem CID: 6102222
• Molecular Weight: 654.41

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 Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - 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

• Melt Point(°C): 236 °C
• Molecular Weight: 654.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 653.053 Da
• Monoisotopic Mass: 653.053 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. Runkun Zhang, Yanhui Zhong, Yufei Hu, Yi Chen, Ling Xia, Gongke Li.  (2024)  Liquid-Phase Cyclic Chemiluminescence for the Identification of Cobalt Speciation.  ANALYTICAL CHEMISTRY,      [PMID:38359085] [10.1021/acs.analchem.3c05864]