Potassium 4-chlorophenyltrifluoroborate - ≥96% , CAS No.661465-44-7

CAS: 661465-44-7 Cat. No.: P134408 Molecular Weight: 218.45 EC Number: 623-469-9 PubChem CID: 23682053

GRADE & PURITY ≥96%

Synonyms

POTASSIUM (4-CHLOROPHENYL)TRIFLUOROBORANUIDE | potassium;(4-chlorophenyl)-trifluoroboranuide | AS-2597 | N12020 | Potassium(4-chlorophenyl)trifluoroborate | AKOS005258023 | MFCD04115770 | EN300-1253074 | Potassium (4-chlorophenyl)trifluoroborate | DTXSID1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

POTASSIUM (4-CHLOROPHENYL)TRIFLUOROBORANUIDE | potassium;(4-chlorophenyl)-trifluoroboranuide | AS-2597 | N12020 | Potassium(4-chlorophenyl)trifluoroborate | AKOS005258023 | MFCD04115770 | EN300-1253074 | Potassium (4-chlorophenyl)trifluoroborate | DTXSID1

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504769648
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769648
• Canonical Smiles: [B-](C1=CC=C(C=C1)Cl)(F)(F)F.[K+]
• IUPAC Name: potassium;(4-chlorophenyl)-trifluoroboranuide
• InChIKey: GXBSKMLVYJPMRT-UHFFFAOYSA-N
• INCHI: 1S/C6H4BClF3.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(C=C1)Cl)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23682053
• Molecular Weight: 218.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• 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: Chlorobenzene - 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 chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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: 218.450 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.968 Da
• Monoisotopic Mass: 217.968 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 133.000
• 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

References

1. Wentao Ma, Xu Ren, Jinxi Wang, Xiao Tan, Mengshuan Cui, Kai Liu, Huixian Ren, Jiamei Liu, Hanying Wang, Xiaoyan Xi, Shiqing Bi.  (2025)  Bimolecular Passivation Layer Modified NiOx to Improve the Efficiency and Stability of Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:41070785] [10.1021/acsami.5c16972]