Tetraphenylphosphonium Chloride - ≥98%(T) , CAS No.2001-45-8

CAS: 2001-45-8 Cat. No.: T162792 Molecular Weight: 374.85 Beilstein Registry Number: 3922390 EC Number: 217-890-3 PubChem CID: 164911

GRADE & PURITY ≥98%(T)

Synonyms

Ph4PCl | A855066 | C24H20ClP | Q7706653 | SY032650 | Phosphonium, tetraphenyl-, chloride | EINECS 217-890-3 | SCHEMBL126056 | Tetraphenylphosphonium chloride | W-107657 | F15456 | tetraphenylphosphanium;chloride | AS-15199 | AKOS015833164 | DTXSID00897533

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Ph4PCl | A855066 | C24H20ClP | Q7706653 | SY032650 | Phosphonium, tetraphenyl-, chloride | EINECS 217-890-3 | SCHEMBL126056 | Tetraphenylphosphonium chloride | W-107657 | F15456 | tetraphenylphosphanium;chloride | AS-15199 | AKOS015833164 | DTXSID00897533

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• IUPAC Name: tetraphenylphosphanium;chloride
• InChIKey: WAGFXJQAIZNSEQ-UHFFFAOYSA-M
• 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
• Isomeric SMILES: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• WGK Germany: 3
• PubChem CID: 164911
• Molecular Weight: 374.85
• Beilstein: 3922390
• Reaxy-Rn: 3922393

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: Organopnictogen compounds Organophosphorus compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - 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

Associated Targets(Human)

HL-60 (67320 Activities)

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic
• Melt Point(°C): 272-274 °C
• Molecular Weight: 374.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 374.099 Da
• Monoisotopic Mass: 374.099 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 301.000
• 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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9. Xiangyan Yun, Yanrong Zhu, Yu Wang, Zutao Fan, Kang Zhou, Hanlin Hu, Haizhe Zhong, Henan Li, Yumeng Shi.  (2024)  Toward an Ideal Light Source for Indoor Photosynthesis: Broadband Red Emission in Zero-Dimensional Hafnium-Based Metal Halide (TPP)2HfCl6·4C2H3N:Sb3+.  INORGANIC CHEMISTRY,      [PMID:39292549] [10.1021/acs.inorgchem.4c03218]

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