Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate - ≥98% , CAS No.175079-12-6

CAS: 175079-12-6 Cat. No.: P129160 Peso molecular: 898.71 Número EC: 634-007-0 PubChem CID: 9962865

GRADE & PURITY ≥98%

Synonyms

benzonitrile;3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate | Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate | AMY11844 | PALLADIUM(II)[1,3-BIS(DIPHENYLPHOSPHINO)PROPANE]-BIS(BENZO

Storage

Room temperature

Shipped In

Normal

Descripción general

Pd catalyst for Diels-Alder reactions. Catalyst for: Synthesis of a photopatternable pentacene precursor; Diels-Alder reactions of dienes with aldehydes

Specifications

Sinónimos

benzonitrile;3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate | Palladium(II)[1, 3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate | AMY11844 | PALLADIUM(II)[1, 3-BIS(DIPHENYLPHOSPHINO)PROPANE]-BIS(BENZO

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]
• IUPAC Name: benzonitrile;3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate
• InChIKey: VCESXCUPOICDRS-UHFFFAOYSA-N
• INCHI: 1S/C27H26P2.2C7H5N.2BF4.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;;;/q;;;2*-1;+2
• Isómeros SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]
• WGK Alemania: 3
• PubChem CID: 9962865
• Peso molecular: 898.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Organic metalloid salts Organic metal halides Nitriles Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Benzonitrile - Phosphine - Organic metal halide - Organic metalloid salt - Organic transition metal salt - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 898.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 898.145 Da
• Monoisotopic Mass: 898.145 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 472.000
• 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: 6

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