Potassium (5-bromothiophen-2-yl)trifluoroboranuide - ≥98% , CAS No.1239370-98-9

CAS: 1239370-98-9 Cat. No.: P180494 Molecular Weight: 268.9 EC Number: 806-714-6 PubChem CID: 49834929

GRADE & PURITY ≥98%

Synonyms

AS-2590 | potassium (5-bromothiophen-2-yl)trifluoroboranuide | Potassium 5-bromothiophene-2-trifluoroborate | MFCD17015269 | Potassium 5-Bromo-2-thiophenetrifluoroborate | Borate(1-), (5-bromo-2-thienyl)trifluoro-, potassium (1:1), (T-4)- | Potassium 5-br

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-2590 | potassium (5-bromothiophen-2-yl)trifluoroboranuide | Potassium 5-bromothiophene-2-trifluoroborate | MFCD17015269 | Potassium 5-Bromo-2-thiophenetrifluoroborate | Borate(1-), (5-bromo-2-thienyl)trifluoro-, potassium (1:1), (T-4)- | Potassium 5-br

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](C1=CC=C(S1)Br)(F)(F)F.[K+]
• IUPAC Name: potassium;(5-bromothiophen-2-yl)-trifluoroboranuide
• InChIKey: LNJIZRITMDDEGQ-UHFFFAOYSA-N
• INCHI: 1S/C4H2BBrF3S.K/c6-4-2-1-3(10-4)5(7,8)9;/h1-2H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC=C(S1)Br)(F)(F)F.[K+]
• PubChem CID: 49834929
• Molecular Weight: 268.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organobromides Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic potassium salt - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-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: 268.940 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 267.874 Da
• Monoisotopic Mass: 267.874 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• 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