Bis(tri-tert-butylphosphine)palladium(0) - Palladium(Pd)≥19.6% , CAS No.53199-31-8

CAS: 53199-31-8 Cat. No.: B498782 Molecular Weight: 511.05 EC Number: 640-284-9

GRADE & PURITY Palladium(Pd)≥19.6%

Synonyms

Fu catalyst | Pd(t-Bu3P)2 | BIS(TRI-T-BUTYLPHOSPHINE)PALLADIUM | Palladium, bis[tris(1,1-dimethylethyl)phosphine]- | PB42990 | palladium;tritert-butylphosphane | DTXSID80370359 | Bis[tris(tert-butyl)phosphine]palladium | STR08646 | MFCD03094580 | SC10403

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Fu catalyst | Pd(t-Bu3P)2 | BIS(TRI-T-BUTYLPHOSPHINE)PALLADIUM | Palladium, bis[tris(1, 1-dimethylethyl)phosphine]- | PB42990 | palladium;tritert-butylphosphane | DTXSID80370359 | Bis[tris(tert-butyl)phosphine]palladium | STR08646 | MFCD03094580 | SC10403

Specifications & Purity

Palladium(Pd)≥19.6%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Pubchem Sid: 504761163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761163
• Canonical Smiles: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
• IUPAC Name: palladium;tritert-butylphosphane
• InChIKey: MXQOYLRVSVOCQT-UHFFFAOYSA-N
• INCHI: 1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
• Isomeric SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
• WGK Germany: 3
• Molecular Weight: 511.05
• Reaxy-Rn: 14300595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14300595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organic phosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organic phosphines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphines and derivatives
• Alternative Parents: Organic transition metal salts Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phosphine - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphines and derivatives. These are organic compounds containing a phosphine derivative, with the general formula B1P(R2)R3 (R1-R3=alkyl, aryl).
• 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

• Solubility: Soluble in toluene benzene, slight soluble in chloroform and acetone. Decomposes in water.
• Sensitivity: Sensitive to air, heat, light and humidity
• Melt Point(°C): >300°C
• Molecular Weight: 511.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 510.274 Da
• Monoisotopic Mass: 510.274 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 128.000
• 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