Bis(triphenylphosphoranylidene)ammonium chloride（PPNCl） - ≥96% , CAS No.21050-13-5

CAS: 21050-13-5 Cat. No.: B102438 Molecular Weight: 574.03 Beilstein Registry Number: 4097979 EC Number: 244-170-6

GRADE & PURITY ≥96%

Synonyms

Bis(triphenylphosphoranylidene)ammonium | AKOS015915599 | triphenyl-[(triphenyl-$l^{5}-phosphanylidene)amino]phosphanium chloride | Q172272 | Triphenyl(P,P,P-triphenylphosphine imidato)phosphorus(1+) chloride | A815098 | TRIPHENYL[(TRIPHENYL-??-PHOSPHANYL

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Bis(triphenylphosphoranylidene)ammonium | AKOS015915599 | triphenyl-[(triphenyl-$l^{5}-phosphanylidene)amino]phosphanium chloride | Q172272 | Triphenyl(P, P, P-triphenylphosphine imidato)phosphorus(1+) chloride | A815098 | TRIPHENYL[(TRIPHENYL-??-PHOSPHANYL

Specifications & Purity

≥96%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488194225
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194225
• Canonical Smiles: C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
• IUPAC Name: triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium;chloride
• InChIKey: LVRCYPYRKNAAMX-UHFFFAOYSA-M
• INCHI: 1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
• WGK Germany: 3
• Molecular Weight: 574.03
• Beilstein: 4097979
• Reaxy-Rn: 4097979
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4097979&ln=

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: Organophosphorus compounds Organic nitrogen compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organic cation - 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: Moderately soluble in water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 270-272°C
• Molecular Weight: 574.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 573.154 Da
• Monoisotopic Mass: 573.154 Da
• Topological Polar Surface Area: 12.400 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 607.000
• 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: 2

XLogP3

References

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4. Gaokuo Du, Huanrong Li, Zixuan Li, Xinchi Ye, Yige Wang.  (2024)  Luminescence Boosting after adding Quaternary ammonium/Phosphine Cations to Europium (III) Laponite Clay.  APPLIED CLAY SCIENCE,      [PMID:] [10.1016/j.clay.2024.107584]

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6. Qingyun Ge, Baihu Dong, Yunqi Chen, Xinqiang Wang, Xiang Wang, Chaogang Fan, Chuhua Chen, Shaohui Lin, Qinmin Pan, Flora T. T. Ng.  (2024)  Salen–cobalt catalyzed degradation of polypropylene carbonate and its application in one-pot tandem synthesis of propylene carbonate.  NEW JOURNAL OF CHEMISTRY,  48  (38): (16836-16843).  [PMID:] [10.1039/D4NJ02996H]

7. Feng Ximin, Liu Xiong, Zhang Xun, Guo Wenqi, Zhang Chengjian, Zhang Xinghong.  (2025)  Air-stable covalent borane–oxyanion organocatalysts for ring-opening copolymerization.  Nature Synthesis,      [PMID:] [10.1038/s44160-025-00923-3]

8. Xinchi Ye, Wei Zhang, Gaokuo Du, Mengmeng Ma, Yige Wang, Huanrong Li.  (2026)  Conferring High Luminescence and Photophysical Stability on a Eu3+ Tetrakis(β-Diketonate) with the Bis(triphenylphosphine)iminium Cation.  INORGANIC CHEMISTRY,      [PMID:] [10.1021/acs.inorgchem.6c00303]