(Bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(I) tetrafluoroborate - ≥95% , CAS No.82499-43-2

CAS: 82499-43-2 Cat. No.: B139300 Molecular Weight: 708.32 EC Number: 620-915-4 PubChem CID: 10996123

GRADE & PURITY ≥95%

Synonyms

SC10392 | bicyclo[2.2.1]hepta-2,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate | DTXSID70451121 | (bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(i)tetrafluoroborate | (Bicyclo[2.2.1]hepta-2,5-diene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SC10392 | bicyclo[2.2.1]hepta-2, 5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate | DTXSID70451121 | (bicyclo[2.2.1]hepta-2, 5-diene)[1, 4-bis(diphenylphosphino)butane]rhodium(i)tetrafluoroborate | (Bicyclo[2.2.1]hepta-2, 5-diene

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1C2C=CC1C=C2.C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Rh]
• IUPAC Name: bicyclo[2.2.1]hepta-2,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
• InChIKey: DSKHASOFJSSKTD-UHFFFAOYSA-N
• INCHI: 1S/C28H28P2.C7H8.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-4,6-7H,5H2;;/q;;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C1C2C=CC1C=C2.C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Rh]
• WGK Germany: 3
• PubChem CID: 10996123
• Molecular Weight: 708.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Polycyclic hydrocarbons Organic phosphines and derivatives Organic transition metal salts Organic metalloid salts Unsaturated aliphatic hydrocarbons Organopnictogen compounds Olefins Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Polycyclic hydrocarbon - Phosphine - Organic metalloid salt - Organic transition metal salt - Organopnictogen compound - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon derivative - Organophosphorus compound - Olefin - Organic anion - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Moisture sensitive
• Molecular Weight: 708.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 708.138 Da
• Monoisotopic Mass: 708.138 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 43
• Formal Charge: -1
• Complexity: 484.000
• 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: 4

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