(S)-[1,1''-Binaphthalene]-2,2''-diylbis[1,1-diphenyl-1,1''-phosphine oxide] - ≥98%,≥99%(ee) , CAS No.94041-18-6

CAS: 94041-18-6 Cat. No.: S281854 Molecular Weight: 654.7

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

BINAPO | AT33457 | PHOSPHINE OXIDE, [1,1'-BINAPHTHALENE]-2,2'-DIYLBIS | E76910 | (R)-[1,1'-Binaphthalene]-2,2'-diylbis[1,1-diphenyl-1,1'-phosphine oxide] | (S)-[1,1'-Binaphthalene]-2,2'-diylbis[1,1-diphenyl-1,1'-phosphine oxide], 98% (99% ee) | [1,1'-bina

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BINAPO | AT33457 | PHOSPHINE OXIDE, [1, 1'-BINAPHTHALENE]-2, 2'-DIYLBIS | E76910 | (R)-[1, 1'-Binaphthalene]-2, 2'-diylbis[1, 1-diphenyl-1, 1'-phosphine oxide] | (S)-[1, 1'-Binaphthalene]-2, 2'-diylbis[1, 1-diphenyl-1, 1'-phosphine oxide], 98% (99% ee) | [1, 1'-bina

Specifications & Purity

≥98%, ≥99%(ee)

Legal Information

Sold in collaboration with Daicel for research purposes only.

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%, ≥99%(ee)

Names and Identifiers

• Pubchem Sid: 504765834
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765834
• Canonical Smiles: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8
• IUPAC Name: 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene
• InChIKey: SEZSRPYCOMAEDL-UHFFFAOYSA-N
• INCHI: 1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8
• Molecular Weight: 654.7
• Reaxy-Rn: 5784992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5784992&ln=

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: Naphthalenes Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylphosphine - Naphthalene - Phenylphosphine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homopolycyclic 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 256-258°C
• Molecular Weight: 654.700 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 654.188 Da
• Monoisotopic Mass: 654.188 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 993.000
• 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