4,6-Bis(diphenylphosphino)dibenzofuran - ≥98% , CAS No.133850-81-4

CAS: 133850-81-4 Cat. No.: B281844 Molecular Weight: 536.54 EC Number: 814-447-1

GRADE & PURITY ≥98%

Synonyms

AKOS015909980 | Phosphine, 4,6-dibenzofurandiylbis[diphenyl- | MFCD00233867 | 4,6-Bis(diphenylphosphino) dibenzofuran | (6-diphenylphosphanyldibenzofuran-4-yl)-diphenylphosphane | VAVXLUZIWOAKCD-UHFFFAOYSA-N | SCHEMBL2288606 | E75437 | [6-(Diphenylphosphi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015909980 | Phosphine, 4, 6-dibenzofurandiylbis[diphenyl- | MFCD00233867 | 4, 6-Bis(diphenylphosphino) dibenzofuran | (6-diphenylphosphanyldibenzofuran-4-yl)-diphenylphosphane | VAVXLUZIWOAKCD-UHFFFAOYSA-N | SCHEMBL2288606 | E75437 | [6-(Diphenylphosphi

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C4C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
• IUPAC Name: (6-diphenylphosphanyldibenzofuran-4-yl)-diphenylphosphane
• InChIKey: VAVXLUZIWOAKCD-UHFFFAOYSA-N
• INCHI: 1S/C36H26OP2/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)33-25-13-23-31-32-24-14-26-34(36(32)37-35(31)33)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C4C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
• Molecular Weight: 536.54
• Reaxy-Rn: 4829420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4829420&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: Dibenzofurans Heteroaromatic compounds Furans Organic phosphines and derivatives Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Dibenzofuran - Benzofuran - Phenylphosphine - Heteroaromatic compound - Furan - Phosphine - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic 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

Chemical and Physical Properties

• Molecular Weight: 536.500 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 536.146 Da
• Monoisotopic Mass: 536.146 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 649.000
• 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

References

1. Zhang Dingshuo, Zhu Meiyi, He Yifan, Cao Qingli, Gao Yun, Li Hongjin, Lu Guochao, Cui Qiaopeng, Shen Yongmiao, He Haiping, Dai Xingliang, Ye Zhizhen.  (2024)  Efficient and bright broadband electroluminescence based on environment-friendly metal halide nanoclusters.  Light-Science & Applications,  13  (1): (1-11).  [PMID:38584197] [10.1038/s41377-024-01427-z]