Tri(o-tolyl)phosphine - ≥99% , CAS No.6163-58-2

CAS: 6163-58-2 Cat. No.: T396888 Molecular Weight: 304.37 Beilstein Registry Number: 661212 EC Number: 228-193-9 PubChem CID: 80271

GRADE & PURITY ≥99%

Synonyms

FT-0636009 | Thionaphthoquinone | tritolylphosphine | tri-tolylphosphine | TRIS(2-TOLUENE)PHOSPHINE | tri(orthotolyl)phosphine | tri(ortho-tolyl)phosphine | Tri-o-tolylphosphine | tri-o-tolyl-phosphine | trio-tolylphosphine | AC-22726 | MFCD00015001 | P(o

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Application

Tri(o-tolyl)phosphine is used in a ruthenium-catalyzed direct amination of alcohols. It is also used in Suzuki reaction. Further, it is used in the preparation of tri-ortho-phosphinselenide by reacting with selenium as a reagent. In addition to this, it acts as a ligand in coordination chemistry.

Specifications

Synonyms

FT-0636009 | Thionaphthoquinone | tritolylphosphine | tri-tolylphosphine | TRIS(2-TOLUENE)PHOSPHINE | tri(orthotolyl)phosphine | tri(ortho-tolyl)phosphine | Tri-o-tolylphosphine | tri-o-tolyl-phosphine | trio-tolylphosphine | AC-22726 | MFCD00015001 | P(o

Specifications & Purity

≥99%

Legal Information

Phosphine Ligand Kit component.

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488185834
• Canonical Smiles: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C
• IUPAC Name: tris(2-methylphenyl)phosphane
• InChIKey: COIOYMYWGDAQPM-UHFFFAOYSA-N
• INCHI: 1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
• Isomeric SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C
• WGK Germany: 3
• PubChem CID: 80271
• Molecular Weight: 304.37
• Beilstein: 661212
• Reaxy-Rn: 661212

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: Toluenes Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Toluene - 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

• Solubility: Soluble in alcohol. Slightly soluble in cold water. Insoluble in water.
• Sensitivity: light sensitive,air sensitive
• Melt Point(°C): 124-126°C
• Molecular Weight: 304.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 304.138 Da
• Monoisotopic Mass: 304.138 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 286.000
• 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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