Chlorodicyclohexylphosphine - ≥97% , CAS No.16523-54-9

CAS: 16523-54-9 Cat. No.: C102805 Molecular Weight: 232.73 Beilstein Registry Number: 16(4)968 EC Number: 605-396-4

GRADE & PURITY ≥97%

Synonyms

CHLORODICYCLOHEXYLPHOSPHANE;CHLORODICYCLOHEXYLPHOSPHINE;DICYCLOHEXYLCHLOROPHOSPHINE;DICYCLOHEXYLPHOSPHINE CHLORIDE;DICYCLOHEXYLPHOSPHINOUS CHLORIDE | Dicyclohexyl(chloro)phosphine | AKOS015914536 | AKJFBIZAEPTXIL-UHFFFAOYSA-N | DTXSID10370140 | chlorodicy

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Chlorodicyclohexylphosphine can be used as a reactant in the synthesis of:

· 1,2-Bis(dicyclohexylphosphinoxy)ethane ligand by reacting with ethylene glycol in the presence of triethylamine via Michaelis?Arbuzov type rearrangements.

· 1,1,2,2-tetracyclohexyldiphosphine monosulfide ligand by treating with LiS.

It can be also used as a starting material for the preparation of some other ligands such as dicyclohexylphosphine oxide , phosphino substituted N-aryl pyrroles , di-tert-butyl((dicyclohexylphosphino)methyl)phosphine , dicyclohexylcyclopentylphosphine. These ligands are used in Pd-catalyzed cross-coupling reactions.

Specifications

Synonyms

CHLORODICYCLOHEXYLPHOSPHANE;CHLORODICYCLOHEXYLPHOSPHINE;DICYCLOHEXYLCHLOROPHOSPHINE;DICYCLOHEXYLPHOSPHINE CHLORIDE;DICYCLOHEXYLPHOSPHINOUS CHLORIDE | Dicyclohexyl(chloro)phosphine | AKOS015914536 | AKJFBIZAEPTXIL-UHFFFAOYSA-N | DTXSID10370140 | chlorodicy

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761075
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761075
• Canonical Smiles: C1CCC(CC1)P(C2CCCCC2)Cl
• IUPAC Name: chloro(dicyclohexyl)phosphane
• InChIKey: AKJFBIZAEPTXIL-UHFFFAOYSA-N
• INCHI: 1S/C12H22ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
• Isomeric SMILES: C1CCC(CC1)P(C2CCCCC2)Cl
• WGK Germany: 3
• Molecular Weight: 232.73
• Beilstein: 16(4)968
• Reaxy-Rn: 956672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Alkylhalophosphines

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Alkylhalophosphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylhalophosphines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alkylhalophosphine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylhalophosphines. These are organophosphorus compounds with the general formula RPX2 or R2PX (R=alkyl, X=halogen).
• 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: Reacts violently with water
• Sensitivity: Air & Moisture sensitive.
• Refractive Index: 1.533
• Boil Point(°C): 165 °C/12 mmHg
• Molecular Weight: 232.730 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 232.115 Da
• Monoisotopic Mass: 232.115 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 142.000
• 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