Triphenylborane - ≥95% , CAS No.960-71-4

CAS: 960-71-4 Cat. No.: T283262 Molecular Weight: 242.13 EC Number: 213-504-2 PubChem CID: 70400

GRADE & PURITY ≥95%

Synonyms

Borine, triphenyl | BORINE, TRIPHENYL- | EINECS 213-504-2 | Triphenylborane | triphenyl-borane | B(C6H5)3 | Tox21_303213 | Peeramine Black E | InChI=1/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15 | Trisulfon Blue FO | Borane, tri

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application：

Triphenylborane is used as a precursor in the production of pyridine-triphenylborane complex, which is used as a catalyst for the polymerization of acrylic esters. It is also used in the hydrocyanation of butadiene to adiponitrile. It is involved in the synthesis of 3-phenyl-cyclohexene by reacting with acetic acid cyclohex-2-enyl ester in presence of palladium bis(dibenzylideneacetone) and triphenylphosphine as a catalyst.

Specifications

Synonyms

Borine, triphenyl | BORINE, TRIPHENYL- | EINECS 213-504-2 | Triphenylborane | triphenyl-borane | B(C6H5)3 | Tox21_303213 | Peeramine Black E | InChI=1/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15 | Trisulfon Blue FO | Borane, tri

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: triphenylborane
• InChIKey: MXSVLWZRHLXFKH-UHFFFAOYSA-N
• INCHI: 1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• Isomeric SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 70400
• Molecular Weight: 242.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organoboron compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Moisture sensitive
• Boil Point(°C): 208°C/14 mm
• Melt Point(°C): 146-148°C
• Molecular Weight: 242.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 242.127 Da
• Monoisotopic Mass: 242.127 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• 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: 1

XLogP3

References

1. Zhuo Wang, Xinyue Zhang, Qian Yang, Shuaihua Zhang, Guifen Chang, Xiaohuan Zang, Chun Wang, Zhi Wang.  (2022)  Covalent triazine-based frameworks for efficient solid-phase microextraction of phthalic acid esters from food-contacted plastics.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36088777] [10.1016/j.chroma.2022.463474]

2. Gang Wang, Peng He, Anli Xu, Qinglei Guo, Jiurong Li, Zihao Wang, Zhiduo Liu, Da Chen, Siwei Yang, Guqiao Ding.  (2018)  Promising Fast Energy Transfer System Between Graphene Quantum Dots and the Application in Fluorescent Bioimaging.  LANGMUIR,      [PMID:30485105] [10.1021/acs.langmuir.8b03739]