1,4-Bis(diphenylphosphino)butane-palladium(II) chloride - ≥98% , CAS No.29964-62-3

CAS: 29964-62-3 Cat. No.: B101055 Molecular Weight: 603.8 EC Number: 678-067-6 PubChem CID: 10974057

GRADE & PURITY ≥98%

Synonyms

1,4-bis(diphenylphosphino)butane palladium(II)chloride | [1,4-bis(diphenylphosphino)butane]palladium(ii)dichloride | [1.4-bis(diphenylphosphino)butane] palladium (II) chloride | LS-0009 | 1,4-Butylenebis(diphenylphosphine)palladiumdichloride | Pd(dppb)Cl2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 4-bis(diphenylphosphino)butane palladium(II)chloride | [1, 4-bis(diphenylphosphino)butane]palladium(ii)dichloride | [1.4-bis(diphenylphosphino)butane] palladium (II) chloride | LS-0009 | 1, 4-Butylenebis(diphenylphosphine)palladiumdichloride | Pd(dppb)Cl2

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197006
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197006
• Canonical Smiles: C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;4-diphenylphosphanylbutyl(diphenyl)phosphane
• InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L
• INCHI: 1S/C28H28P2.2ClH.Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h1-12,15-22H,13-14,23-24H2;2*1H;/q;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 10974057
• Molecular Weight: 603.8
• Reaxy-Rn: 14619684

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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,Moisture Sensitive
• Melt Point(°C): 213°C
• Molecular Weight: 603.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 602.008 Da
• Monoisotopic Mass: 602.008 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 364.000
• 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

References

1. Jinye Niu, Jilin Fan, Xu Wang, Yongsheng Xiao, Xilei Xie, Xiaoyun Jiao, Chuanzhi Sun, Bo Tang.  (2017)  Simultaneous Fluorescence and Chemiluminescence Turned on by Aggregation-Induced Emission for Real-Time Monitoring of Endogenous Superoxide Anion in Live Cells.  ANALYTICAL CHEMISTRY,      [PMID:28573846] [10.1021/acs.analchem.7b01425]