Pentafluorophenyl Diphenylphosphinate - ≥95% , CAS No.138687-69-1

CAS: 138687-69-1 Cat. No.: B301148 Molecular Weight: 384.24 EC Number: 873-948-3

GRADE & PURITY ≥95%

Synonyms

AKOS015900973 | SY009797 | Diphenylphosphinic acid pentafluorophenyl ester | perfluorophenyl diphenylphosphinate | FDPP | F10512 | SCHEMBL863602 | Phosphinic acid, P,P-diphenyl-, 2,3,4,5,6-pentafluorophenyl ester | 1-diphenylphosphoryloxy-2,3,4,5,6-pentaf

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015900973 | SY009797 | Diphenylphosphinic acid pentafluorophenyl ester | perfluorophenyl diphenylphosphinate | FDPP | F10512 | SCHEMBL863602 | Phosphinic acid, P, P-diphenyl-, 2, 3, 4, 5, 6-pentafluorophenyl ester | 1-diphenylphosphoryloxy-2, 3, 4, 5, 6-pentaf

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488194947
• Canonical Smiles: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F
• IUPAC Name: 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
• InChIKey: OOWSDKUFKGVADH-UHFFFAOYSA-N
• INCHI: 1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F
• WGK Germany: 3
• Molecular Weight: 384.24
• Reaxy-Rn: 3011984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3011984&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Fluorobenzenes Aryl fluorides Organophosphorus compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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 methanol
• Sensitivity: Moisture sensitive
• Boil Point(°C): 153°C/1mmHg
• Melt Point(°C): 47-59°C
• Molecular Weight: 384.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 384.034 Da
• Monoisotopic Mass: 384.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 472.000
• 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