Bis(triphenylphosphine)palladium(II) diacetate - Pd 14.2% , CAS No.14588-08-0

CAS: 14588-08-0 Cat. No.: B101047 Molecular Weight: 749.08 Beilstein Registry Number: 16(4)955 EC Number: 238-628-4 PubChem CID: 10865532

GRADE & PURITY Pd 14.2%

Synonyms

MFCD00010013 | Bis(triphenylphosphine)palladium(II) diacetate, 98% | acetic acid;palladium;triphenylphosphane | Diacetatobis(triphenylphosphine) palladium(II) | bis(triphenylphosphine)palladium(ii) acetate | AKOS015923028 | SCHEMBL5903625 | diacetatobis(t

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD00010013 | Bis(triphenylphosphine)palladium(II) diacetate, 98% | acetic acid;palladium;triphenylphosphane | Diacetatobis(triphenylphosphine) palladium(II) | bis(triphenylphosphine)palladium(ii) acetate | AKOS015923028 | SCHEMBL5903625 | diacetatobis(t

Specifications & Purity

Pd 14.2%

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: 504765656
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765656
• Canonical Smiles: CC(=O)O.CC(=O)O.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.[Pd]
• IUPAC Name: acetic acid;palladium;triphenylphosphane
• InChIKey: VKYBQFWSQQZDLX-UHFFFAOYSA-N
• INCHI: 1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4)
• Isomeric SMILES: CC(=O)O.CC(=O)O.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.[Pd]
• WGK Germany: 3
• PubChem CID: 10865532
• Molecular Weight: 749.08
• Beilstein: 16(4)955
• Reaxy-Rn: 13172988

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 Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organooxygen compound - Carbonyl group - 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: Air & Heat Sensitive
• Melt Point(°C): 136°C
• Molecular Weight: 751.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 750.128 Da
• Monoisotopic Mass: 750.128 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 280.000
• 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

XLogP3

References

1. Qing Wan, Meiying Liu, Dazhuang Xu, Hongye Huang, Liucheng Mao, Guangjian Zeng, Fengjie Deng, Xiaoyong Zhang, Yen Wei.  (2016)  Facile fabrication of amphiphilic AIE active glucan via formation of dynamic bonds: self assembly, stimuli responsiveness and biological imaging.  Journal of Materials Chemistry B,  4  (22): (4033-4039).  [PMID:32263102] [10.1039/C6TB00776G]