Dodecyltriphenylphosphonium bromide - ≥98% , CAS No.15510-55-1

CAS: 15510-55-1 Cat. No.: D102911 Molecular Weight: 511.52 EC Number: 239-538-8

GRADE & PURITY ≥98%

Synonyms

AKOS015902300 | DODECYLTRIPHENYLPHOSPHONIUM BROMIDE [WHO-DD] | Phosphonium, dodecyltriphenyl-, bromide | n-Dodecyl triphenylphosphonium bromide | 4-Bromo-3-methoxy phenol | dodecyl(triphenyl)phosphonium bromide | EINECS 239-538-8 | NSC407228 | UNII-2OQV5U

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Involved in comparative electrochemical studies of anticorrosion efficiency of nanocomposite coatings. Intercalating agent for modifying anticorrosion, gas barrier, mechanical and thermal properties of nanocomposite coatings. Mediator for reactions of nitrophenyl acetate. Studies of: Nucleophilic substitution kinetics of sulfonate ester Intercalated polyester / silicate nanocomposites Thermal stability of quaternary phosphonium-modified montmorillonites in silicate layered polymer nanocomposites

Specifications

Synonyms

AKOS015902300 | DODECYLTRIPHENYLPHOSPHONIUM BROMIDE [WHO-DD] | Phosphonium, dodecyltriphenyl-, bromide | n-Dodecyl triphenylphosphonium bromide | 4-Bromo-3-methoxy phenol | dodecyl(triphenyl)phosphonium bromide | EINECS 239-538-8 | NSC407228 | UNII-2OQV5U

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755785
• Canonical Smiles: CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: dodecyl(triphenyl)phosphanium;bromide
• InChIKey: NSIFOGPAKNSGNW-UHFFFAOYSA-M
• INCHI: 1S/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Germany: 3
• Alternate CAS: 17895-72-6
• Molecular Weight: 511.52
• Reaxy-Rn: 3581921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3581921&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: organic bromide salt

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Under Inert Atmosphere
• Melt Point(°C): 85-88°C
• Molecular Weight: 511.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 510.205 Da
• Monoisotopic Mass: 510.205 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 380.000
• 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