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Bis(pentafluorophenyl)phenylphosphine - >98.0%(GC), high purity , CAS No.5074-71-5
Basic Description
Synonyms
DFTPP, | Phosphine, bis(pentafluorophenyl)phenyl- | bis(2,3,4,5,6-pentafluorophenyl)-phenylphosphane | DTXSID90198783 | MFCD00000291 | Bis(perfluorophenyl)(phenyl)phosphine | T70977 | Decafluorotriphenylphosphine (DFTPP) SV Tuning 1000 microg/mL in Aceton
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
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
Fluorobenzenes Aryl fluorides Organic phosphines and derivatives Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Triphenylphosphine - Phenylphosphine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen 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.
Names and Identifiers
IUPAC Name
bis(2,3,4,5,6-pentafluorophenyl)-phenylphosphane
INCHI
InChI=1S/C18H5F10P/c19-7-9(21)13(25)17(14(26)10(7)22)29(6-4-2-1-3-5-6)18-15(27)11(23)8(20)12(24)16(18)28/h1-5H
InChIKey
OYNXPGGNQMSMTR-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F
Isomeric SMILES
C1=CC=C(C=C1)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F
Molecular Weight
442.2
Reaxy-Rn
949443
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=949443&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in chloroform, dichloromethane, tetrahydrofuran, benzene, toluene, ethanol, methanol, and supercritical carbon dioxide.
Sensitivity
Air sensitive
Boil Point(°C)
105 °C/0.3 mmHg
Melt Point(°C)
58°C-62°C
Molecular Weight
442.200 g/mol
XLogP3
5.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
3
Exact Mass
441.997 Da
Monoisotopic Mass
441.997 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
479.000
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
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D2024100