Potassium 2-fluoro-4-(trifluoromethyl)phenyltrifluoroborate - ≥90% , CAS No.1150655-12-1

CAS: 1150655-12-1 Cat. No.: P166134 Molecular Weight: 270 EC Number: 687-522-8 PubChem CID: 44717656

GRADE & PURITY ≥90%

Synonyms

E85484 | POTASSIUM 2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLTRIFLUOROBORATE | AB42634 | 1150655-12-1 | POTASSIUM TRIFLUORO[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]BORANUIDE | Borate(1-), trifluoro[2-fluoro-4-(trifluoromethyl)phenyl]-, potassium (1:1), (T-4)- | AS-800

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

E85484 | POTASSIUM 2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLTRIFLUOROBORATE | AB42634 | 1150655-12-1 | POTASSIUM TRIFLUORO[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]BORANUIDE | Borate(1-), trifluoro[2-fluoro-4-(trifluoromethyl)phenyl]-, potassium (1:1), (T-4)- | AS-800

Specifications & Purity

≥90%

Storage

Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical Smiles: [B-](C1=C(C=C(C=C1)C(F)(F)F)F)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-[2-fluoro-4-(trifluoromethyl)phenyl]boranuide
• InChIKey: NKFIFIUHQRJHJP-UHFFFAOYSA-N
• INCHI: 1S/C7H3BF7.K/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15;/h1-3H;/q-1;+1
• Isomeric SMILES: [B-](C1=C(C=C(C=C1)C(F)(F)F)F)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 44717656
• Molecular Weight: 270

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Fluorobenzenes Aryl fluorides Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organofluorides Organic potassium salts Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Alkyl fluoride - Alkyl halide - Organic metalloid moeity - Organohalogen compound - Organofluoride - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: 270.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 269.985 Da
• Monoisotopic Mass: 269.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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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