Potassium Trimethoxy(trifluoromethyl)borate - ≥95% , CAS No.626232-27-7

CAS: 626232-27-7 Cat. No.: P160803 Molecular Weight: 212.02 EC Number: 804-166-2 PubChem CID: 23682739

GRADE & PURITY ≥95%

Synonyms

Borate(1-), trimethoxy(trifluoromethyl)-, potassium, (T-4)- | potassium trimethoxy(trifluoromethyl)boranuide | Potassium Trimethoxy(trifluoromethyl)borate | potassium;trimethoxy(trifluoromethyl)boranuide | MFCD22124929 | Potassium (trifluoromethyl)trimeth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Borate(1-), trimethoxy(trifluoromethyl)-, potassium, (T-4)- | potassium trimethoxy(trifluoromethyl)boranuide | Potassium Trimethoxy(trifluoromethyl)borate | potassium;trimethoxy(trifluoromethyl)boranuide | MFCD22124929 | Potassium (trifluoromethyl)trimeth

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](C(F)(F)F)(OC)(OC)OC.[K+]
• IUPAC Name: potassium;trimethoxy(trifluoromethyl)boranuide
• InChIKey: XQUUVPNLRZQWNF-UHFFFAOYSA-N
• INCHI: 1S/C4H9BF3O3.K/c1-9-5(10-2,11-3)4(6,7)8;/h1-3H3;/q-1;+1
• Isomeric SMILES: [B-](C(F)(F)F)(OC)(OC)OC.[K+]
• PubChem CID: 23682739
• Molecular Weight: 212.02
• Reaxy-Rn: 9663459

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Trihalomethanes Organic metalloid salts Organic metal halides Organooxygen compounds Organofluorides Organic potassium salts Organic oxoanionic compounds Monoalkylboranes Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Boronic acid ester - Organic borate - Trihalomethane - Organic metalloid salt - Organic metal halide - Organic alkali metal salt - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Halomethane - Alkylborane - Organic potassium salt - Organic salt - Organooxygen compound - Organofluoride - Monoalkylborane - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= 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: Hygroscopic,Heat Sensitive
• Melt Point(°C): 118°C(dec.)(lit.)
• Molecular Weight: 212.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 212.023 Da
• Monoisotopic Mass: 212.023 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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: 2

XLogP3