Potassium Vinyltrifluoroborate - ≥97% , CAS No.13682-77-4

CAS: 13682-77-4 Cat. No.: P138183 Molecular Weight: 133.95 EC Number: 629-487-3

GRADE & PURITY ≥97%

Synonyms

POTASSIUM TRIFLUORO(VINYL)BORANUIDE | vinyltrifluoroborate potassium salt | POTASSIUM (ETHENYL)TRIFLUOROBORATE | Potassium ethenyltrifluoroborate | J-006918 | EN300-91288 | GS-3655 | 2-Ethyl-4-hydroxy-benzoicacid | Potassium trifluoro(vinyl)borate | Potas

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Potassium vinyltrifluoroborate is an air- and water-stable potassium organotrifluoroborate that can be utilized in coupling reactions under relatively mild conditions

Specifications

Synonyms

POTASSIUM TRIFLUORO(VINYL)BORANUIDE | vinyltrifluoroborate potassium salt | POTASSIUM (ETHENYL)TRIFLUOROBORATE | Potassium ethenyltrifluoroborate | J-006918 | EN300-91288 | GS-3655 | 2-Ethyl-4-hydroxy-benzoicacid | Potassium trifluoro(vinyl)borate | Potas

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [B-](C=C)(F)(F)F.[K+]
• IUPAC Name: potassium;ethenyl(trifluoro)boranuide
• InChIKey: ZCUMGICZWDOJEM-UHFFFAOYSA-N
• INCHI: 1S/C2H3BF3.K/c1-2-3(4,5)6;/h2H,1H2;/q-1;+1
• Isomeric SMILES: [B-](C=C)(F)(F)F.[K+]
• WGK Germany: 3
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 133.95
• Reaxy-Rn: 7777570

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Boronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid derivatives
• Alternative Parents: Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic metalloid moeity - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid derivatives. These are compounds comprising any derivative of the boronic acid functional group, with the general structure RB(X)Y (R=alkyl, aryl; X,Y= any O, N, Hal residue).
• 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 & Moisture sensitive
• Melt Point(°C): 230℃
• Molecular Weight: 133.950 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.992 Da
• Monoisotopic Mass: 133.992 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 58.400
• 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: 2

XLogP3

References

1. Yuanfei Bao, Jianliang Liu, Yige Zhang, Liping Zheng, Jiacong Ma, Fei Zhang, Yubing Xiong, Xiangju Meng, Zhifeng Dai, Feng-Shou Xiao.  (2022)  Porous organic polymers with diverse quaternary phosphonium units for chemical fixation of CO2 with low concentration.  FUEL,      [PMID:] [10.1016/j.fuel.2022.125909]

2. Shenling Wang, Yanling Geng, Xiaowei Sun, Rongyu Wang, Zhenjia Zheng, Shenghuai Hou, Xiao Wang, Wenhua Ji.  (2020)  Molecularly imprinted polymers prepared from a single cross-linking functional monomer for solid-phase microextraction of estrogens from milk.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32823105] [10.1016/j.chroma.2020.461400]

3. Wenjuan Chen, Lingqi Meng, Jinmiao Sun, Manman Mu, Xiaohong Yin.  (2024)  Vinyl-containing covalent organic frameworks co-polymerized with imidazolium ionic liquids for the efficient cycloaddition of CO2 with epoxides.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127639]