Isobutyltriphenylphosphonium bromide - ≥98% , CAS No.22884-29-3

CAS: 22884-29-3 Cat. No.: I189083 Molecular Weight: 399.31 EC Number: 245-291-7

GRADE & PURITY ≥98%

Synonyms

AKOS015900341 | SY106402 | FT-0627347 | Phosphonium, (2-methylpropyl)triphenyl-, bromide | F17182 | (2-Methylpropyl)triphenylphosphonium bromide | 2-methylpropyl(triphenyl)phosphanium;bromide | FT-0627377 | MFCD00031593 | BB 0322389 | VIKPDPHNYHUZQW-UHFFF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015900341 | SY106402 | FT-0627347 | Phosphonium, (2-methylpropyl)triphenyl-, bromide | F17182 | (2-Methylpropyl)triphenylphosphonium bromide | 2-methylpropyl(triphenyl)phosphanium;bromide | FT-0627377 | MFCD00031593 | BB 0322389 | VIKPDPHNYHUZQW-UHFFF

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192285
• Canonical Smiles: CC(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: 2-methylpropyl(triphenyl)phosphanium;bromide
• InChIKey: VIKPDPHNYHUZQW-UHFFFAOYSA-M
• INCHI: 1S/C22H24P.BrH/c1-19(2)18-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CC(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Molecular Weight: 399.31
• Reaxy-Rn: 4171228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4171228&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

Chemical and Physical Properties

• Melt Point(°C): 198-202℃
• Molecular Weight: 399.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 398.08 Da
• Monoisotopic Mass: 398.08 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 284.000
• 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. Juexin Huang, Jingyi Xia, Sravan Baddi, Yu Zhao, Chuan-liang Feng.  (2025)  Dual-Scale Polarization Engineering of d-Phenylalanine-Based Assemblies for High-Performance Nanogenerators.  ACS Nano,      [PMID:40598888] [10.1021/acsnano.5c03436]