(2-NITRO-BENZYL)-TRIPHENYL-PHOSPHONIUM, BROMIDE - ≥97% , CAS No.23308-83-0

CAS: 23308-83-0 Cat. No.: N168846 Molecular Weight: 478.329 EC Number: 621-750-0

GRADE & PURITY ≥97%

Synonyms

AKOS005068019 | (2-nitrobenzyl)(triphenyl)phosphonium bromide | SCHEMBL2546696 | FT-0604645 | (2-Nitrobenzyl)triphenylphosphoniumbromide | W10694 | ATURWXASWONPRT-UHFFFAOYSA-M | AB86694 | (2-NITRO-BENZYL)-TRIPHENYL-PHOSPHONIUM, BROMIDE | Phosphonium, [(2-

Storage

Room temperature

Shipped In

Normal

Overview

(2-Nitrobenzyl)triphenylphosphonium Bromide is a useful research chemical for organic synthesis and other chemical processes.

Specifications

Synonyms

AKOS005068019 | (2-nitrobenzyl)(triphenyl)phosphonium bromide | SCHEMBL2546696 | FT-0604645 | (2-Nitrobenzyl)triphenylphosphoniumbromide | W10694 | ATURWXASWONPRT-UHFFFAOYSA-M | AB86694 | (2-NITRO-BENZYL)-TRIPHENYL-PHOSPHONIUM, BROMIDE | Phosphonium, [(2-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196885
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196885
• Canonical Smiles: C1=CC=C(C=C1)[P+](CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: (2-nitrophenyl)methyl-triphenylphosphanium;bromide
• InChIKey: ATURWXASWONPRT-UHFFFAOYSA-M
• INCHI: 1S/C25H21NO2P.BrH/c27-26(28)25-19-11-10-12-21(25)20-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Molecular Weight: 478.329
• Reaxy-Rn: 4086172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4086172&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: Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Nitrobenzene - Nitroaromatic compound - Phenylphosphine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Organic oxide - Organic cation - 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

• Molecular Weight: 478.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 477.049 Da
• Monoisotopic Mass: 477.049 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 470.000
• 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