(S)-C4-TunePhos - ≥98% , CAS No.486429-94-1

CAS: 486429-94-1 Cat. No.: S1012237 Summenformel: C₄₀H₃₄O₂P₂ Molekulargewicht: 608.600

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1CCOC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OC1
• IUPAC Name: (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
• InChIKey: SILYLKHINIIMMN-UHFFFAOYSA-N
• INCHI: 1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2
• Molekulargewicht: 608.600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Alkyl aryl ethers Organic phosphines and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Alkyl aryl ether - Phosphine - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 608.600 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 608.203 Da
• Monoisotopic Mass: 608.203 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 723.000
• 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: 1