Triphenylphosphine dibromide - ≥95% , CAS No.1034-39-5

CAS: 1034-39-5 Cat. No.: T302116 Molecular Weight: 422.1 EC Number: 213-855-1 PubChem CID: 70579

GRADE & PURITY ≥95%

Synonyms

dibromtriphenylphosphorane | NSC 87871 | Bromotriphenylphosphonium bromide | Triphenylphosphine dibromide | dibromo triphenylphosphorane | Phosphorane,dibromotriphenyl- | DTXSID3061423 | Dibromo(triphenyl)phosphorane | dibromo(triphenyl)-lambda5-phosphane

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reagent used in the preparation of alkyl and aryl bromides from alcohols and phenols without rearrangement.

Specifications

Synonyms

dibromtriphenylphosphorane | NSC 87871 | Bromotriphenylphosphonium bromide | Triphenylphosphine dibromide | dibromo triphenylphosphorane | Phosphorane, dibromotriphenyl- | DTXSID3061423 | Dibromo(triphenyl)phosphorane | dibromo(triphenyl)-lambda5-phosphane

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br
• IUPAC Name: dibromo(triphenyl)-λ5-phosphane
• InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N
• INCHI: 1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br
• PubChem CID: 70579
• Molecular Weight: 422.1

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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubility: Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble
• Sensitivity: Moisture sensitive
• Melt Point(°C): 235°(dec.)
• Molecular Weight: 422.100 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 421.926 Da
• Monoisotopic Mass: 419.928 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 285.000
• 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: 1