Bis(p-tolyl)phosphine oxide - ≥95% , CAS No.2409-61-2

CAS: 2409-61-2 Cat. No.: B124570 Molecular Weight: 230.29 Beilstein Registry Number: 2804632 EC Number: 808-017-2

GRADE & PURITY ≥95%

Synonyms

Di-p-tolylphosphine oxide | Di(4-methylphenyl)phosphinous acid | Bis(p-tolyl)phosphine oxide | Di-p-tolylphosphineoxide | Phosphine oxide, bis(4-methylphenyl)- | AS-58445 | DTXSID60538152 | FT-0688068 | AKOS015917389 | GCUWBTGMXUIKOB-UHFFFAOYSA-N | 1-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Di-p-tolylphosphine oxide | Di(4-methylphenyl)phosphinous acid | Bis(p-tolyl)phosphine oxide | Di-p-tolylphosphineoxide | Phosphine oxide, bis(4-methylphenyl)- | AS-58445 | DTXSID60538152 | FT-0688068 | AKOS015917389 | GCUWBTGMXUIKOB-UHFFFAOYSA-N | 1-meth

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488198417
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198417
• Canonical Smiles: CC1=CC=C(C=C1)[P+](=O)C2=CC=C(C=C2)C
• IUPAC Name: bis(4-methylphenyl)-oxophosphanium
• InChIKey: ZHIPXAFNKGZMSC-UHFFFAOYSA-N
• INCHI: 1S/C14H14OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/q+1
• Isomeric SMILES: CC1=CC=C(C=C1)[P+](=O)C2=CC=C(C=C2)C
• Molecular Weight: 230.29
• Beilstein: 2804632
• Reaxy-Rn: 2804632

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Organophosphorus compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

• Solubility: Slightly soluble in water；Soluble in methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 96°C(lit.)
• Molecular Weight: 229.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 229.078 Da
• Monoisotopic Mass: 229.078 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 1
• Complexity: 211.000
• 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