Bis(triphenylphosphine)copper Tetrahydroborate - ≥90% , CAS No.16903-61-0

CAS: 16903-61-0 Cat. No.: B115573 Molecular Weight: 602.97 EC Number: 240-951-0 PubChem CID: 10908163

GRADE & PURITY ≥90%

Synonyms

RUPWVDHHQBRQRT-UHFFFAOYSA-N | BIS-(TRIPHENYLPHOSPHINO)-CUPROUS BOROHYDRIDE | FT-0623108 | BIS(TRIPHENYLPHOSPHINE)COPPER(I) TETRAHYDRIDOBORATE | B1139 | Bis(triphenylphosphine)copper tetrahydroborate | J-019418 | Copper(1+) tetrahydroborate--triphenylphosp

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

RUPWVDHHQBRQRT-UHFFFAOYSA-N | BIS-(TRIPHENYLPHOSPHINO)-CUPROUS BOROHYDRIDE | FT-0623108 | BIS(TRIPHENYLPHOSPHINE)COPPER(I) TETRAHYDRIDOBORATE | B1139 | Bis(triphenylphosphine)copper tetrahydroborate | J-019418 | Copper(1+) tetrahydroborate--triphenylphosp

Specifications & Purity

≥90%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical Smiles: [B-].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+]
• InChIKey: RUPWVDHHQBRQRT-UHFFFAOYSA-N
• INCHI: 1S/2C18H15P.B.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;;/q;;-1;+1
• Isomeric SMILES: [B-].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+]
• PubChem CID: 10908163
• Molecular Weight: 602.97
• Reaxy-Rn: 14867991

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 metalloid salts Organic copper salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Phenylphosphine - Phosphine - Organic metalloid salt - Organic transition metal salt - Hydrocarbon derivative - Organic copper salt - Organic salt - Organophosphorus compound - Organic cation - 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 sensitive.
• Melt Point(°C): 175°
• Molecular Weight: 598.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 598.121 Da
• Monoisotopic Mass: 598.121 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 202.000
• 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. Yi Liu, Guoan Tai, Chuang Hou, Zitong Wu, Xinchao Liang.  (2023)  Chemical Vapor Deposition Growth of Few-Layer β12-Borophane on Copper Foils toward Broadband Photodetection.  ACS Applied Materials & Interfaces,      [PMID:36897961] [10.1021/acsami.2c23234]