2-(Triphenylphosphoranylidene)acetophenone - ≥98%(T) , CAS No.859-65-4

CAS: 859-65-4 Cat. No.: T162826 Peso molecular: 380.43 Número EC: 212-727-2 PubChem CID: 70073

GRADE & PURITY ≥98%(T)

Synonyms

Ethanone, 1-phenyl-2-(triphenylphosphoranylidene)- | SK&F 45349 | FT-0622760 | Phenacyltriphenylphosphonium | Phosphonium, (2-oxo-2-phenylethyl)triphenyl- | T2002 | Phenacylidenetriphenylphosphorane | (phenacylidene)triphenylphosphorane | BENZOYLMETHYLENE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Ethanone, 1-phenyl-2-(triphenylphosphoranylidene)- | SK&F 45349 | FT-0622760 | Phenacyltriphenylphosphonium | Phosphonium, (2-oxo-2-phenylethyl)triphenyl- | T2002 | Phenacylidenetriphenylphosphorane | (phenacylidene)triphenylphosphorane | BENZOYLMETHYLENE

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488184464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184464
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: 1-phenyl-2-(triphenyl-λ5-phosphanylidene)ethanone
• InChIKey: MZRSAJZDYIISJW-UHFFFAOYSA-N
• INCHI: 1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• RTECS: AN0540000
• PubChem CID: 70073
• Peso molecular: 380.43
• Reaxy-Rn: 620285

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Benzoyl derivatives Aryl ketones Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Aryl ketone - Benzoyl - Phenylphosphine - Ketone - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol (almost transparency).
• Sensibilidad: heat sensitive；air sensitive
• Punto de fusión (°C): 183.0-188.0℃
• Peso molecular: 380.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 380.133 Da
• Monoisotopic Mass: 380.133 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 488.000
• 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