Dichloro[(S)-(-)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]palladium(II) - ≥97% , CAS No.127593-28-6

CAS: 127593-28-6 Cat. No.: D133001 Molecular Weight: 800 EC Number: 631-388-5 PubChem CID: 10919878

GRADE & PURITY ≥97%

Synonyms

127593-28-6|115826-95-4|((S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)dichloropalladium|[(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) chloride|(S)-BINAP-PdCl2|dichloropalladium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-y

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

127593-28-6 | 115826-95-4 | ((S)-2, 2'-Bis(diphenylphosphino)-1, 1'-binaphthyl)dichloropalladium | [(R)-(+)-2, 2'-Bis(diphenylphosphino)-1, 1'-binaphthyl]palladium(II) chloride | (S)-BINAP-PdCl2 | dichloropalladium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-y

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765726
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
• InChIKey: VDHAUMFISVWIRX-UHFFFAOYSA-L
• INCHI: 1S/C44H32P2.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Pd]Cl
• WGK Germany: 1
• PubChem CID: 10919878
• Molecular Weight: 800

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: Naphthalenes Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylphosphine - Naphthalene - Phenylphosphine - Phosphine - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus compound - Aromatic homopolycyclic 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: Air sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 800.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 798.039 Da
• Monoisotopic Mass: 798.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 800.000
• 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