Bis(trifluorometanosulfonato) de antraceno-2,6-diilo - ≥98% , CAS No.594838-61-6

CAS: 594838-61-6 Cat. No.: A151345 Peso molecular: 474.34 Número EC: 834-537-4

GRADE & PURITY ≥98%

Synonyms

ZGOORSQUXBKABZ-UHFFFAOYSA-N | SCHEMBL13933202 | 2,6-Bis(trifluorometanosulfoniloxi)antraceno | MFCD30725736 | T71109 | [6-(trifluorometilsulfoniloxi)antracen-2-il] trifluorometanosulfonato | Antraceno-2,6-diil Bis(trifluorometanosulfonato)

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

ZGOORSQUXBKABZ-UHFFFAOYSA-N | SCHEMBL13933202 | 2, 6-Bis(trifluorometanosulfoniloxi)antraceno | MFCD30725736 | T71109 | [6-(trifluorometilsulfoniloxi)antracen-2-il] trifluorometanosulfonato | Antraceno-2, 6-diil Bis(trifluorometanosulfonato)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771624
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771624
• Sonrisas canónicas: C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• IUPAC Name: [6-(trifluoromethylsulfonyloxy)anthracen-2-yl] trifluoromethanesulfonate
• InChIKey: ZGOORSQUXBKABZ-UHFFFAOYSA-N
• INCHI: 1S/C16H8F6O6S2/c17-15(18,19)29(23,24)27-13-3-1-9-5-12-8-14(28-30(25,26)16(20,21)22)4-2-10(12)6-11(9)7-13/h1-8H
• Isómeros SMILES: C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Peso molecular: 474.34
• Reaxy-Rn: 18941565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18941565&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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): 116-120℃
• Peso molecular: 474.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 473.967 Da
• Monoisotopic Mass: 473.967 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 756.000
• 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: 1