Chlorobis[4-(trifluoromethyl)phenyl]phosphine - ≥97% , CAS No.13685-24-0

CAS: 13685-24-0 Cat. No.: C348937 Molecular Weight: 356.64 EC Number: 679-116-4

GRADE & PURITY ≥97%

Synonyms

Bis[4-(trifluoromethyl)phenyl]chlorophosphine | Chloro-bis[4-(trifluoromethyl)phenyl]phosphane

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application

Chlorobis[4-(trifluoromethyl)phenyl]phosphine is a reactant in the synthesis of green phosphorescent OLEDs(based on a novel iridium complex).

Specifications

Synonyms

Bis[4-(trifluoromethyl)phenyl]chlorophosphine | Chloro-bis[4-(trifluoromethyl)phenyl]phosphane

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194843
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194843
• Canonical Smiles: C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
• IUPAC Name: chloro-bis[4-(trifluoromethyl)phenyl]phosphane
• InChIKey: PBLUOOURLNAOAJ-UHFFFAOYSA-N
• INCHI: 1S/C14H8ClF6P/c15-22(11-5-1-9(2-6-11)13(16,17)18)12-7-3-10(4-8-12)14(19,20)21/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
• UN Number: 3265
• Packing Group: II
• Molecular Weight: 356.64
• Reaxy-Rn: 2771120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2771120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Organophosphorus compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: Reacts with water.
• Sensitivity: Moisture sensitive;Air sensitive
• Boil Point(°C): 110° C
• Molecular Weight: 356.630 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 355.996 Da
• Monoisotopic Mass: 355.996 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 319.000
• 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