Triphenylphosphine oxide - ≥98% , CAS No.791-28-6

CAS: 791-28-6 Cat. No.: T106098 Molecular Weight: 278.28 Beilstein Registry Number: 745854 EC Number: 212-338-8 PubChem CID: 13097

GRADE & PURITY ≥98%

Synonyms

EC 212-338-8 | J-525125 | SCHEMBL3949 | triphenylphosphane oxide | triphenylphosphinoxide | DTXSID2022121 | FT-0632960 | AKOS000494984 | A839592 | STK123697 | Z69161FKI3 | TRIPHENYLPHOSPHINE OXIDE | tri-phenylphosphine oxide | triphenyl-phosphine oxide |

Storage

Room temperature

Shipped In

Normal

Overview

Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and michael reactions. TPPO is also used to induce crystallization of otherwise difficult to crystallize compounds.
A phosphine ligand used for coupling reactions, epoxidations, and Michael reactions

Specifications

Synonyms

EC 212-338-8 | J-525125 | SCHEMBL3949 | triphenylphosphane oxide | triphenylphosphinoxide | DTXSID2022121 | FT-0632960 | AKOS000494984 | A839592 | STK123697 | Z69161FKI3 | TRIPHENYLPHOSPHINE OXIDE | tri-phenylphosphine oxide | triphenyl-phosphine oxide |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: diphenylphosphorylbenzene
• InChIKey: FIQMHBFVRAXMOP-UHFFFAOYSA-N
• INCHI: 1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 2
• RTECS: SZ1676000
• PubChem CID: 13097
• Molecular Weight: 278.28
• Beilstein: 745854
• Reaxy-Rn: 745854

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: Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic 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: phosphine oxide

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

• Solubility: Soluble in polar organic solvents. Slightly soluble in hexane and diethyl ether. Insoluble in water.
• Flash Point(°F): 356 °F
• Flash Point(°C): 180 °C
• Boil Point(°C): 360°C
• Melt Point(°C): 150-159℃
• Molecular Weight: 278.300 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 278.086 Da
• Monoisotopic Mass: 278.086 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 281.000
• 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

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