3-Fluorophenyl trifluoromethanesulphonate - ≥98% , CAS No.57606-65-2

CAS: 57606-65-2 Cat. No.: F589538 Peso molecular: 244.16

GRADE & PURITY ≥98%

Synonyms

3-Fluorophenyl trifluoromethanesulfonate # | (3-fluorophenyl) trifluoromethanesulfonate | m-Fluorophenyl trifluoromethanesulfonate | SCHEMBL778690 | 3-Fluorophenyl trifluoromethanesulfonate | 3-Fluorophenyl trifluoromethanesulphonate | DTXSID70338665 | F7

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3-Fluorophenyl trifluoromethanesulfonate # | (3-fluorophenyl) trifluoromethanesulfonate | m-Fluorophenyl trifluoromethanesulfonate | SCHEMBL778690 | 3-Fluorophenyl trifluoromethanesulfonate | 3-Fluorophenyl trifluoromethanesulphonate | DTXSID70338665 | F7

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759224
• Sonrisas canónicas: C1=CC(=CC(=C1)F)OS(=O)(=O)C(F)(F)F
• IUPAC Name: (3-fluorophenyl) trifluoromethanesulfonate
• InChIKey: LKAKRVBLXMUOHC-UHFFFAOYSA-N
• INCHI: 1S/C7H4F4O3S/c8-5-2-1-3-6(4-5)14-15(12,13)7(9,10)11/h1-4H
• Isómeros SMILES: C1=CC(=CC(=C1)F)OS(=O)(=O)C(F)(F)F
• Peso molecular: 244.16
• Reaxy-Rn: 2333934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2333934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Trifluoromethanesulfonates Fluorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl fluorides Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Trifluoromethanesulfonate - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Halomethane - Organic oxide - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

• Peso molecular: 244.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 243.982 Da
• Monoisotopic Mass: 243.982 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 305.000
• 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