Dicyclohexyl(9-benzylfluoren-9-yl)phosphonium tetrafluoroborate - ≥95% , CAS No.937378-18-2

CAS: 937378-18-2 Cat. No.: D299048 Molecular Weight: 540.42 EC Number: 623-389-4 PubChem CID: 57356036

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3(C4=CC=CC=C4C5=CC=CC=C53)CC6=CC=CC=C6
• IUPAC Name: (9-benzylfluoren-9-yl)-dicyclohexylphosphanium;tetrafluoroborate
• InChIKey: TXCRCYKOFGNXQO-UHFFFAOYSA-O
• INCHI: 1S/C32H37P.BF4/c1-4-14-25(15-5-1)24-32(30-22-12-10-20-28(30)29-21-11-13-23-31(29)32)33(26-16-6-2-7-17-26)27-18-8-3-9-19-27;2-1(3,4)5/h1,4-5,10-15,20-23,26-27H,2-3,6-9,16-19,24H2;/q;-1/p+1
• Isomeric SMILES: [B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3(C4=CC=CC=C4C5=CC=CC=C53)CC6=CC=CC=C6
• WGK Germany: 3
• PubChem CID: 57356036
• Molecular Weight: 540.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Benzene and substituted derivatives Organic metalloid salts Organophosphorus compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Monocyclic benzene moiety - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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
• Molecular Weight: 540.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 540.274 Da
• Monoisotopic Mass: 540.274 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 587.000
• 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

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