Tris(4-fluorophenyl)phosphine - ≥98% , CAS No.18437-78-0

CAS: 18437-78-0 Cat. No.: T115596 Molecular Weight: 316.26 Beilstein Registry Number: 919838 EC Number: 627-663-4 PubChem CID: 140387

GRADE & PURITY ≥98%

Synonyms

p(4-fc6h4)3 | iso-pentylamine | Tris(p-fluorophenyl)phosphine | tris (p-fluorophenyl)phosphine | BCP21966 | F17176 | Phosphine, tris(p-fluorophenyl)- | DTXSID80171565 | MFCD00013553 | EN300-6746815 | SCHEMBL196718 | Tris(4-fluorophenyl)phosphine | tris-(4

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Ligand for rhodium-catalyzed oxygenative addition to terminal alkynes for a greener synthesis esters, amides, and carboxylic acids.

Specifications

Synonyms

p(4-fc6h4)3 | iso-pentylamine | Tris(p-fluorophenyl)phosphine | tris (p-fluorophenyl)phosphine | BCP21966 | F17176 | Phosphine, tris(p-fluorophenyl)- | DTXSID80171565 | MFCD00013553 | EN300-6746815 | SCHEMBL196718 | Tris(4-fluorophenyl)phosphine | tris-(4

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757207
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757207
• Canonical Smiles: C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• IUPAC Name: tris(4-fluorophenyl)phosphane
• InChIKey: GEPJPYNDFSOARB-UHFFFAOYSA-N
• INCHI: 1S/C18H12F3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• Isomeric SMILES: C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• WGK Germany: 3
• PubChem CID: 140387
• Molecular Weight: 316.26
• Beilstein: 919838
• Reaxy-Rn: 919838

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: Fluorobenzenes Aryl fluorides Organic phosphines and derivatives Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen 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: Insoluble in water.
• Sensitivity: Air sensitive.
• Boil Point(°C): 160 °C/0.1 mmHg
• Melt Point(°C): 79-83°C
• Molecular Weight: 316.300 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 316.063 Da
• Monoisotopic Mass: 316.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 275.000
• 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

1. Mengzhan Ge, Xiaodong Zhang, Shangzhou Xia, Wenjie Luo, Yuwei Jin, Qianqian Chen, Huagui Nie, Zhi Yang.  (2021)  Uniform Formation of Amorphous Cobalt Phosphate on Carbon Nanotubes for Hydrogen Evolution Reaction†.  CHINESE JOURNAL OF CHEMISTRY,  39  (8): (2113-2118).  [PMID:] [10.1002/cjoc.202000695]