Triphenylpropylphosphonium bromide - ≥98% , CAS No.6228-47-3

CAS: 6228-47-3 Cat. No.: T100772 Molecular Weight: 385.28 Beilstein Registry Number: 3599726 EC Number: 228-330-2

GRADE & PURITY ≥98%

Synonyms

DTXSID80977847 | triphenyl(propyl)phosphanium;bromide | 2-Methyl-4-butanolide | Triphenyl(propyl)phosphonium bromide | (1-Propyl)triphenylphosphonium bromide | (1-PROPYL)TRIPHENYLPHOSPHONIUM BROMIDE;N-PROPYLTRIPHENYLPHOSPHONIUM BROMIDE;PROPYLTRIPHENYLPHOS

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID80977847 | triphenyl(propyl)phosphanium;bromide | 2-Methyl-4-butanolide | Triphenyl(propyl)phosphonium bromide | (1-Propyl)triphenylphosphonium bromide | (1-PROPYL)TRIPHENYLPHOSPHONIUM BROMIDE;N-PROPYLTRIPHENYLPHOSPHONIUM BROMIDE;PROPYLTRIPHENYLPHOS

Specifications & Purity

≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: triphenyl(propyl)phosphanium;bromide
• InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M
• INCHI: 1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Germany: 3
• Alternate CAS: 15912-75-1
• Molecular Weight: 385.28
• Beilstein: 3599726
• Reaxy-Rn: 3599726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3599726&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: Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic bromide 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(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Melt Point(°C): 235-239°C
• Molecular Weight: 385.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 384.064 Da
• Monoisotopic Mass: 384.064 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 260.000
• 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

1. Min Wang, Yajie Yue, Jingjing Zhang, Yifan Qin, Liyan Jia, Xu Jing.  (2024)  Dispersive liquid-liquid microextraction based on magnetic deep eutectic solvent for the determination of succinate dehydrogenase inhibitors in water, juice, wine, and vinegar.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106411]

2. Yuxin Wang, Yulin Wang, Jizhen Fu, Suzhen Li, Yawen Zhang, Xiaojiao Zheng, Jin Liu, Li Li, Xu Jing.  (2025)  Semi-automatic emulsification liquid-liquid microextraction with deep eutectic solvent for the determination of strobilurin fungicides in food samples.  TALANTA,      [PMID:39923671] [10.1016/j.talanta.2025.127692]

3. Zhi-Wei Chen, Na Lin, Xin-Yue Zhang, Yu-Sha Yan, Li Xiao, Yi-Fan Wu, Cheng-Yang Yue, Dongpeng Yan, Xiao-Wu Lei.  (2025)  A Universal Doping Strategy for Boosting Luminescence Efficiency of Blue-Emitting Hybrid Zn Halides as Ultrastable and Underwater Scintillators.  Aggregate,  6  (9): (e70112).  [PMID:] [10.1002/agt2.70112]