Triphenylphosphine Borane - ≥97%(T) , CAS No.2049-55-0

CAS: 2049-55-0 Cat. No.: T135345 Molecular Weight: 276.13 EC Number: 677-569-2 PubChem CID: 6364612

GRADE & PURITY ≥97%(T)

Synonyms

F14006 | J-013358 | 1092524-67-8 | Triphenylphosphine Borane | AKOS015833618 | DTXSID60422845 | TriphenylphosphinBorane | AMY14839 | Triphenylphosphineborane | FT-0634001 | SCHEMBL1157656 | MFCD00012427 | T1789 | Boron, trihydro(triphenylphosphine)-, (T-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Usually used as reactant for C-P cross coupling with aryl iodides,synthesis of N-heterocyclic carbene borane complexes via Lewis base exchange,catalyst-free alcoholysis to deprotect phosphane-boranes,undergoing heterolytic activation,deprotection via reactions with resin-supported amines, insertion of overcrowded silylene into hydroboranes.

Specifications

Synonyms

F14006 | J-013358 | 1092524-67-8 | Triphenylphosphine Borane | AKOS015833618 | DTXSID60422845 | TriphenylphosphinBorane | AMY14839 | Triphenylphosphineborane | FT-0634001 | SCHEMBL1157656 | MFCD00012427 | T1789 | Boron, trihydro(triphenylphosphine)-, (T-4

Specifications & Purity

≥97%(T)

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

≥97%(T)

Names and Identifiers

• Canonical Smiles: [B].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
• InChIKey: QFLQJPFCNMSTJZ-UHFFFAOYSA-N
• INCHI: 1S/C18H15P.B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H
• Isomeric SMILES: [B].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 6364612
• Molecular Weight: 276.13
• Reaxy-Rn: 4020299

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: Organic phosphines and derivatives Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic metalloid salt - 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

• Sensitivity: Heat & Moisture Sensitive.
• Molecular Weight: 273.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 273.1 Da
• Monoisotopic Mass: 273.1 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• 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