Potassium tert-pentoxide - 2M in THF , CAS No.41233-93-6

CAS: 41233-93-6 Cat. No.: P466396 Molecular Weight: 126.24 Beilstein Registry Number: 4149025 EC Number: 255-272-5

GRADE & PURITY 2M in THF

Synonyms

FT-0639702 | Potassium (2-methyl-2-butoxide) | MFCD00064808 | BOC-(S)-3-AMINO-4-(2-BROMO-PHENYL)-BUTYRICACID | Potassium tert-pentylate | Potassium tert-amyloxide | P2246 | ZRLVQFQTCMUIRM-UHFFFAOYSA-N | 2-Butanol, 2-methyl-, potassium salt (1:1) | SCHEMBL

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Potassiumtert-pentoxide solution is a strong and sterically hindered alkoxide baseprepared by treating oil-free potassium hydride with anhydrous t-pentylalcohol in anhydrous solvent.

Specifications

Synonyms

FT-0639702 | Potassium (2-methyl-2-butoxide) | MFCD00064808 | BOC-(S)-3-AMINO-4-(2-BROMO-PHENYL)-BUTYRICACID | Potassium tert-pentylate | Potassium tert-amyloxide | P2246 | ZRLVQFQTCMUIRM-UHFFFAOYSA-N | 2-Butanol, 2-methyl-, potassium salt (1:1) | SCHEMBL

Specifications & Purity

2M in THF

Storage

Protected from light, Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCC(C)(C)[O-].[K+]
• IUPAC Name: potassium;2-methylbutan-2-olate
• InChIKey: ZRLVQFQTCMUIRM-UHFFFAOYSA-N
• INCHI: 1S/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
• Isomeric SMILES: CCC(C)(C)[O-].[K+]
• WGK Germany: 3
• UN Number: 2921
• Packing Group: II
• Molecular Weight: 126.24
• Beilstein: 4149025

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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

• Flash Point(°F): 39.2 °F
• Flash Point(°C): 4 °C
• Molecular Weight: 126.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.045 Da
• Monoisotopic Mass: 126.045 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 43.300
• 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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