Bromotris(triphenylphosphine)copper(I) - ≥98% , CAS No.15709-74-7

CAS: 15709-74-7 Cat. No.: B132490 Molecular Weight: 930.31 EC Number: 991-927-8

GRADE & PURITY ≥98%

Synonyms

bromocopper;triphenylphosphane | Bromotris(triphenylphosphine)copper(I), 98% | QXLPGKOIQZWUPL-UHFFFAOYSA-M | CuBr(PPh3)3 | Bromotris(triphenylphosphine)copper(I) | FT-0688272 | D77723 | SC10074 | AKOS027320672 | SY117567 | DTXSID60460045 | BROMOTRIS(TRIPH

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Used in materials science and chemical synthesis.

Specifications

Synonyms

bromocopper;triphenylphosphane | Bromotris(triphenylphosphine)copper(I), 98% | QXLPGKOIQZWUPL-UHFFFAOYSA-M | CuBr(PPh3)3 | Bromotris(triphenylphosphine)copper(I) | FT-0688272 | D77723 | SC10074 | AKOS027320672 | SY117567 | DTXSID60460045 | BROMOTRIS(TRIPH

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766208
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu]Br
• IUPAC Name: bromocopper;triphenylphosphane
• InChIKey: QXLPGKOIQZWUPL-UHFFFAOYSA-M
• INCHI: 1S/3C18H15P.BrH.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu]Br
• Molecular Weight: 930.31
• Reaxy-Rn: 30203782
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30203782&ln=

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: Organic phosphines and derivatives Organic transition metal salts Organic metal bromide salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic metal bromide salt - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus 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: Moisture & Air sensitive.
• Melt Point(°C): 168-170°C
• Molecular Weight: 930.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 928.121 Da
• Monoisotopic Mass: 928.121 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 204.000
• 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

XLogP3

References

1. Gang Yu, Qian Xu, Zhiyou Lei, Yanbing Lu, Weijian Xu, Ruoxi Wu.  (2022)  Novel polymeric platform produced by photodegradation-induced rearrangement for a multifunctional negative photoresist.  POLYMERS FOR ADVANCED TECHNOLOGIES,  34  (2): (597-604).  [PMID:] [10.1002/pat.5911]