Potassium (2,4-Dimethylphenyl)trifluoroborate - ≥97% , CAS No.850245-50-0

CAS: 850245-50-0 Cat. No.: D304768 Molecular Weight: 212.07 PubChem CID: 46736818

GRADE & PURITY ≥97%

Synonyms

AMY9110 | POTASSIUM (2,4-DIMETHYLPHENYL)TRIFLUOROBORATE | Potassium 2,4-Dimethylphenyltrifluoroborate | AS-66562 | SY015465 | Potassium(2,4-dimethylphenyl)trifluoroborate | EN300-1231195 | A863821 | Potassium (2,4-dimethylphenyl)(trifluoro)borate(1-) | po

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AMY9110 | POTASSIUM (2, 4-DIMETHYLPHENYL)TRIFLUOROBORATE | Potassium 2, 4-Dimethylphenyltrifluoroborate | AS-66562 | SY015465 | Potassium(2, 4-dimethylphenyl)trifluoroborate | EN300-1231195 | A863821 | Potassium (2, 4-dimethylphenyl)(trifluoro)borate(1-) | po

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201308
• Canonical Smiles: [B-](C1=C(C=C(C=C1)C)C)(F)(F)F.[K+]
• IUPAC Name: potassium;(2,4-dimethylphenyl)-trifluoroboranuide
• InChIKey: BADMHUYSCWLTIM-UHFFFAOYSA-N
• INCHI: 1S/C8H9BF3.K/c1-6-3-4-8(7(2)5-6)9(10,11)12;/h3-5H,1-2H3;/q-1;+1
• Isomeric SMILES: [B-](C1=C(C=C(C=C1)C)C)(F)(F)F.[K+]
• PubChem CID: 46736818
• Molecular Weight: 212.07

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - 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 - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

• Molecular Weight: 212.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.039 Da
• Monoisotopic Mass: 212.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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

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