(chlorotriphenyl-λ5-phosphanyl)(triphenyl-λ5-phosphanylidene)amine

• ChemBase ID: 145505
• Molecular Formular: C36H30ClNP2
• Molecular Mass: 574.030622
• Monoisotopic Mass: 573.15420091
• SMILES: c1ccc(cc1)P(=NP(c1ccccc1)(c1ccccc1)(c1ccccc1)Cl)(c1ccccc1)c1ccccc1
• Canonical SMILES: ClP(c1ccccc1)(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H30ClNP2/c37-40(34-25-13-4-14-26-34,35-27-15-5-16-28-35,36-29-17-6-18-30-36)38-39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33/h1-30H
• InChIKey: QMTYWEYUVVWPQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chlorotriphenyl-λ^5-phosphanyl)(triphenyl-λ^5-phosphanylidene)amine
• IUPAC Traditional name: (chlorotriphenyl-λ^5-phosphanyl)(triphenyl-λ^5-phosphanylidene)amine
• Synonyms: Hexaphenyldiphosphazenium chloride; PPNCl; Bis(triphenylphosphine)iminium chloride; Bis(triphenylphosphoranylidene)ammonium chloride; 双-(三苯基正膦基)氯化铵; 双(三苯基膦)氯化铵

Database IDs

• CAS Number: 21050-13-5
• EC Number: 244-170-6
• MDL Number: MFCD00151523
• Beilstein Number: 4097979
• PubChem SID: 24849241; 24853407; 24849239; 162239710
• PubChem CID: 13379668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.063913
• LogD (pH = 7.4): 11.412914
• Log P: 11.4198
• Molar Refractivity: 174.0963 cm^3
• Polarizability: 67.53684 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 268-272 °C; 270-272 °C(lit.); 274-276 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20-36/37/38
• Safety Statements: 22-26-36/37/39-38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT); 97%
• Grade: purum; Selectophore™
• Linear Formula: (C6H5)3P=N(Cl)=P(C6H5)3

DETAILS

Sigma Aldrich - 223832

Application
Co-catalyst used with a chiral Cobalt-salen complex for the asymmetric addition of carbon dioxide to propylene oxide.1
Packaging
10, 50, 250 g in poly bottle

Sigma Aldrich - 15263

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

Sigma Aldrich - 15261

Other Notes
PPN-Cl is used for the synthesis of PPN salts by anion exchange; PPN salts of various metal complexes and other compounds are usually more stable and more soluble than other salts 1; Phase-transfer catalyst2