tetraphenylphosphanium chloride

• ChemBase ID: 107450
• Molecular Formular: C24H20ClP
• Molecular Mass: 374.842361
• Monoisotopic Mass: 374.09911495
• SMILES: [Cl-].c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1
• InChIKey: WAGFXJQAIZNSEQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylphosphanium chloride
• IUPAC Traditional name: tetraphenylphosphonium chloride
• Synonyms: TETRAPHENYLPHOSPHONIUM CHLORIDE; Tetraphenylphosphonium chloride; 四苯基氯化膦; 四苯基氯化磷

Database IDs

• CAS Number: 2001-45-8
• EC Number: 217-890-3
• MDL Number: MFCD00011916
• Beilstein Number: 3922393
• PubChem SID: 24853089; 24889043; 162093214
• PubChem CID: 164911
• CHEMBL: 223885
• Chemspider ID: 144578
• Wikipedia Title: Tetraphenylphosphonium_chloride

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 0

PROPERTIES

Physical Property

• Apperance: colourless solid
• Melting Point: 272-274; 272-274 °C(lit.); 272-278°C
• Density: 1.27

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0%; ≥97.0% (AT); 95+%; 98%
• Quality: for the spectrophotometric det. of Bi, Co
• Linear Formula: (C6H5)4P(Cl)

DETAILS

MP Biomedicals - 05203773

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 218790

Packaging
10, 50 g in poly bottle
5 g in glass bottle

REFERENCES

• Reagent for Bi and Co.
• High-temperature phase-transfer catalyst (see Appendix 2). In combination with Bis(acetonitrile)dichloropalladium(II), 10002, provides an effective catalyst for the Heck reaction of normally unreactive aryl halides, e.g. chlorobenzene with styrene to give stilbene. The reaction is performed at 140-150^o in DMF or NMP in the presence of sodium acetate. The reaction may be further improved by the addition of 10-12 mol% N,N-Dimethylglycine, A19670: Angew. Chem. Int. Ed., 37, 481 (1998).