1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) - ≥97% , CAS No.1002345-50-7

CAS: 1002345-50-7 Cat. No.: B137919 Molecular Weight: 612.26 EC Number: 635-571-0 PubChem CID: 24741039

GRADE & PURITY ≥97%

Synonyms

1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) | 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate), 97% | AS-73958 | SY059050 | MFCD12545948 | AC-28789 | Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate | AKOS0376475

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) | 1, 3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate), 97% | AS-73958 | SY059050 | MFCD12545948 | AC-28789 | Propane-1, 3-diylbis(dicyclohexylphosphonium) tetrafluoroborate | AKOS0376475

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200672
• Canonical Smiles: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4
• IUPAC Name: dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium;ditetrafluoroborate
• InChIKey: XJZAIJGNZUQTAM-UHFFFAOYSA-P
• INCHI: 1S/C27H50P2.2BF4/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*2-1(3,4)5/h24-27H,1-23H2;;/q;2*-1/p+2
• Isomeric SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4
• WGK Germany: 3
• PubChem CID: 24741039
• Molecular Weight: 612.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organophosphorus compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic metalloid salt - Hydrocarbon derivative - Organophosphorus compound - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• 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

• Melt Point(°C): 178-183 °C
• Molecular Weight: 612.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 612.36 Da
• Monoisotopic Mass: 612.36 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 369.000
• 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: 3

XLogP3

References

1. Linfeng Zhang, Changpo Ma, Chenyu Wang, Guangyu Sun, Yongqi Shu, Wenya Zou, Tao Yang, Weiran Yang.  (2022)  Direct conversion of glyceric acid to succinic acid by reductive carbonylation.  GREEN CHEMISTRY,  24  (19): (7644-7651).  [PMID:] [10.1039/D2GC02594A]