Dibromobis(tri-tert-butylphosphine)dipalladium(I) - ≥99.95% metals basis , CAS No.185812-86-6

CAS: 185812-86-6 Cat. No.: D294619 Molecular Weight: 777.29 EC Number: 625-141-0 PubChem CID: 71317307

GRADE & PURITY ≥99.95% metals basis

Synonyms

185812-86-6|PALLADIUM (I) TRI-TERT-BUTYLPHOSPHINE BROMIDE|Palladium;tritert-butylphosphane;bromide|MFCD04114019|DTXSID20747905|QMKDJYMOHBICON-UHFFFAOYSA-M|AKOS025294780|palladium(I) tri-tertbutylphosphine bromide|Palladium(I) tri-tert-butylphosphine bromi

Storage

Room temperature

Shipped In

Normal

Overview

Catalyst for C-C, C-N, and N-S bond formation.

Product class

M-P, Homogeneous Catalysts, Monodentate Ligands, Phosphorus Ligands - Achiral

Reaction type

Cross Coupling Reactions with Arenes, Alpha Arylation, Suzuki-Miyaura Coupling Reaction, Isomerization

Chemical properties

Chemical formula

C24H54Br2P2Pd2

Empirical formula

[PdBr[P(tBu3)]]2

Molecular weight

777.29

Metal

Pd

Theoretical metal content

27

Physical state

crystalline

Color

dark green

Metal purity

99.95

Specifications

Synonyms

185812-86-6 | PALLADIUM (I) TRI-TERT-BUTYLPHOSPHINE BROMIDE | Palladium;tritert-butylphosphane;bromide | MFCD04114019 | DTXSID20747905 | QMKDJYMOHBICON-UHFFFAOYSA-M | AKOS025294780 | palladium(I) tri-tertbutylphosphine bromide | Palladium(I) tri-tert-butylphosphine bromi

Specifications & Purity

≥99.95% metals basis

Legal Information

Product of Umicore

Storage

Room temperature

Shipped In

Normal

Purity

≥99.95% metals basis

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Br-].[Pd]
• IUPAC Name: palladium;tritert-butylphosphane;bromide
• InChIKey: WIADNXKBAGKNOT-UHFFFAOYSA-M
• INCHI: 1S/C12H27P.BrH.Pd/c1-10(2,3)13(11(4,5)6)12(7,8)9;;/h1-9H3;1H;/p-1
• Isomeric SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Br-].[Pd]
• WGK Germany: 3
• PubChem CID: 71317307
• Molecular Weight: 777.29

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 Organic metal bromide salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphine - Organic metal bromide salt - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic anion - 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

• Sensitivity: Air Sensitive
• Molecular Weight: 388.640 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 387.007 Da
• Monoisotopic Mass: 387.007 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: -1
• 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