1,1'-[(4R)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine] - ≥98% , CAS No.503538-69-0

CAS: 503538-69-0 Cat. No.: R281898 Molecular Weight: 682.54 PubChem CID: 11332069

GRADE & PURITY ≥98%

Synonyms

(R)-(2,2,2',2'-tetrafluoro-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-diyl)bis(diphenylphosphane) | E78529 | E83116 | (R)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole | DTXSID301116978 | SY068633 | SY075903 | R-(-)-5,5'-Bis(diphenylp

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(R)-(2, 2, 2', 2'-tetrafluoro-[4, 4'-bibenzo[d][1, 3]dioxole]-5, 5'-diyl)bis(diphenylphosphane) | E78529 | E83116 | (R)-5, 5'-Bis(diphenylphosphino)-2, 2, 2', 2'-tetrafluoro-4, 4'-bi-1, 3-benzodioxole | DTXSID301116978 | SY068633 | SY075903 | R-(-)-5, 5'-Bis(diphenylp

Specifications & Purity

≥98%

Legal Information

Sold in collaboration with Daicel for research purposes only. Optical purity: 99.5+%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)OC(O4)(F)F)C5=C(C=CC6=C5OC(O6)(F)F)P(C7=CC=CC=C7)C8=CC=CC=C8
• IUPAC Name: [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane
• InChIKey: HGMLTMOEYCQDDR-UHFFFAOYSA-N
• INCHI: 1S/C38H24F4O4P2/c39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)OC(O4)(F)F)C5=C(C=CC6=C5OC(O6)(F)F)P(C7=CC=CC=C7)C8=CC=CC=C8
• PubChem CID: 11332069
• Molecular Weight: 682.54

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: Benzodioxoles Organic phosphines and derivatives Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Benzodioxole - Phenylphosphine - Phosphine - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organofluoride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic 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: air sensitive；Light sensitive
• Molecular Weight: 682.500 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 682.109 Da
• Monoisotopic Mass: 682.109 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 943.000
• 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