(2-Hydroxyethyl)triphenylphosphonium bromide - ≥98% , CAS No.7237-34-5

CAS: 7237-34-5 Cat. No.: H332721 Molecular Weight: 387.25 EC Number: 628-593-7

GRADE & PURITY ≥98%

Synonyms

AKOS015913455 | Phosphonium,(2-hydroxyethyl)triphenyl-,bromide(1:1) | MFCD00011901 | (2-Hydroxyethyl)(triphenyl)phosphonium bromide | (2-Hydroxyethyl)triphenylphosphonium bromide | 2-hydroxyethyl(triphenyl)phosphanium;bromide | (2-hydroxyethyl)triphenypho

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application

Reactant involved in olefination of activated imines

Modifier of PET nanocomposite fibers with functionalized multiwalled carbon nanotubes

Specifications

Synonyms

AKOS015913455 | Phosphonium, (2-hydroxyethyl)triphenyl-, bromide(1:1) | MFCD00011901 | (2-Hydroxyethyl)(triphenyl)phosphonium bromide | (2-Hydroxyethyl)triphenylphosphonium bromide | 2-hydroxyethyl(triphenyl)phosphanium;bromide | (2-hydroxyethyl)triphenypho

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192411
• Canonical Smiles: C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: 2-hydroxyethyl(triphenyl)phosphanium;bromide
• InChIKey: QZJOQNHOOVSESC-UHFFFAOYSA-M
• INCHI: 1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Germany: 3
• Molecular Weight: 387.25
• Reaxy-Rn: 3922741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3922741&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: Primary alcohols Organopnictogen compounds Organophosphorus compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary alcohol - Organophosphorus compound - Organooxygen compound - Alcohol - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 217-219° C (lit.)
• Molecular Weight: 387.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 386.044 Da
• Monoisotopic Mass: 386.044 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 266.000
• 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. Shengnan Zhong, Lina Tian, Lixin Yi, Yifan Liu, Weiguo Cheng, Yibo Wang, Yunong Li.  (2023)  Phosphine-based ionic liquids for CO2 chemical fixation: Improving stability and activity by asymmetric flexible steric hindrance.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109883]