Tris(2,5-dimethylphenyl)phosphine - ≥98% , CAS No.115034-38-3

CAS: 115034-38-3 Cat. No.: T1070159 Molecular Weight: 346.46 PubChem CID: 2734884

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1)C)P(C2=C(C=CC(=C2)C)C)C3=C(C=CC(=C3)C)C
• IUPAC Name: tris(2,5-dimethylphenyl)phosphane
• InChIKey: KAAYGTMPJQOOGY-UHFFFAOYSA-N
• INCHI: 1S/C24H27P/c1-16-7-10-19(4)22(13-16)25(23-14-17(2)8-11-20(23)5)24-15-18(3)9-12-21(24)6/h7-15H,1-6H3
• Isomeric SMILES: CC1=CC(=C(C=C1)C)P(C2=C(C=CC(=C2)C)C)C3=C(C=CC(=C3)C)C
• PubChem CID: 2734884
• Molecular Weight: 346.46

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: p-Xylenes Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - P-xylene - Xylene - Phenylphosphine - Phosphine - Organopnictogen compound - 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: 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: 346.400 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 346.185 Da
• Monoisotopic Mass: 346.185 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 357.000
• 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