Potassium 3,5-dichlorophenyltrifluoroborate - ≥95% , CAS No.929626-20-0

CAS: 929626-20-0 Cat. No.: P999160 Molecular Weight: 252.91 PubChem CID: 63676991

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](C1=CC(=CC(=C1)Cl)Cl)(F)(F)F.[K+]
• IUPAC Name: potassium;(3,5-dichlorophenyl)-trifluoroboranuide
• InChIKey: LPAWVDUPJPGETJ-UHFFFAOYSA-N
• INCHI: 1S/C6H3BCl2F3.K/c8-5-1-4(7(10,11)12)2-6(9)3-5;/h1-3H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC(=CC(=C1)Cl)Cl)(F)(F)F.[K+]
• PubChem CID: 63676991
• Molecular Weight: 252.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organochlorides Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organochloride - Organic metalloid moeity - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: 252.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 251.929 Da
• Monoisotopic Mass: 251.929 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• 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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