Tris(4-chlorophenyl)phosphine - ≥98% , CAS No.1159-54-2

CAS: 1159-54-2 Cat. No.: T115602 Molecular Weight: 365.62 Beilstein Registry Number: 751458 EC Number: 214-596-7 PubChem CID: 70874

GRADE & PURITY ≥98%

Synonyms

SY061604 | tris(4-chlorophenyl)phosphane | A803521 | SCHEMBL152775 | Lexaurin | NSC136459 | NSC-136459 | tri-(4-Chlorophenyl)phosphine | Phosphine, tris(4-chlorophenyl)- | Tris(4-chlorophenyl)phosphine | tris (4-chlorophenyl)phosphine | Tris(p-chloropheny

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Catalyst for:

· Preparation of chromans and (E,E)-1,3-dienes via reaction of γ-substituted allenoates with aldehydes

· Solvent-free Heck reactions

Cocatalyst in:

· Regioselective carbomagnesiation of terminal alkynes and enynes with alkyl Grignard reagents

· Rhodium-catalyzed coordination-assisted regioselective alkenylation of aromatic C-H bonds with terminal silylacetylenes

· Rhodium-catalyzed hydrogenation reactions

· Platinum-catalyzed allylation reactions

Specifications

Synonyms

SY061604 | tris(4-chlorophenyl)phosphane | A803521 | SCHEMBL152775 | Lexaurin | NSC136459 | NSC-136459 | tri-(4-Chlorophenyl)phosphine | Phosphine, tris(4-chlorophenyl)- | Tris(4-chlorophenyl)phosphine | tris (4-chlorophenyl)phosphine | Tris(p-chloropheny

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
• IUPAC Name: tris(4-chlorophenyl)phosphane
• InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYSA-N
• INCHI: 1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• Isomeric SMILES: C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
• WGK Germany: 3
• PubChem CID: 70874
• Molecular Weight: 365.62
• Beilstein: 751458

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: Chlorobenzenes Aryl chlorides Organic phosphines and derivatives Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic 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
• Melt Point(°C): 100-103°C
• Molecular Weight: 365.600 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 363.974 Da
• Monoisotopic Mass: 363.974 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 275.000
• 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