2,6-Di-tert-butyl-4-methylpyrylium Trifluoromethanesulfonate - ≥97% , CAS No.59643-43-5

CAS: 59643-43-5 Cat. No.: D154541 Peso molecular: 356.4 Número EC: 676-632-1

GRADE & PURITY ≥97%

Synonyms

FT-0610726 | D90061 | OTVABNVGYCQZFO-UHFFFAOYSA-M | DTXSID40371620 | 2,6-DI-TERT-BUTYL-4-METHYL-PYRANYLIUM, TRIFLUORO-METHANESULFONATE | A832396 | AKOS015852989 | 2,6-ditert-butyl-4-methylpyrylium; trifluoromethanesulfonate | D2420 | 2-(3-Fluoro-phenyl)th

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0610726 | D90061 | OTVABNVGYCQZFO-UHFFFAOYSA-M | DTXSID40371620 | 2, 6-DI-TERT-BUTYL-4-METHYL-PYRANYLIUM, TRIFLUORO-METHANESULFONATE | A832396 | AKOS015852989 | 2, 6-ditert-butyl-4-methylpyrylium; trifluoromethanesulfonate | D2420 | 2-(3-Fluoro-phenyl)th

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192841
• Sonrisas canónicas: CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: 2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate
• InChIKey: OTVABNVGYCQZFO-UHFFFAOYSA-M
• INCHI: 1S/C14H23O.CHF3O3S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;2-1(3,4)8(5,6)7/h8-9H,1-7H3;(H,5,6,7)/q+1;/p-1
• Isómeros SMILES: CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Peso molecular: 356.4
• Reaxy-Rn: 3644038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3644038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Oxacyclic compounds Organooxygen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Heteroaromatic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 172 °C
• Peso molecular: 356.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 356.127 Da
• Monoisotopic Mass: 356.127 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 329.000
• 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