trifluorometanosulfonato de 2-naftilo - ≥95%(GC) , CAS No.3857-83-8

CAS: 3857-83-8 Cat. No.: N159479 Peso molecular: 276.23 Número EC: 624-190-5

GRADE & PURITY ≥95%(GC)

Synonyms

2-Naphthyl trifluoromethanesulfonate, 97% | 2-Naphthyl trifluoromethanesulfonate | naphthalen-2-yl trifluoromethanesulfonate | 2-Naphthyltriflate | SCHEMBL1713420 | 2-Naphthyl triflate | BS-22941 | MFCD00192341 | T72409 | A873815 | 2-naphthyltrifluorometh

Storage

Room temperature

Shipped In

Normal

Descripción general

el trifluorometanosulfonato de 2-naftilo (triflato de 2-naftilo) es un triflato de arilo. Se ha descrito su conversión catalizada por rutenio a 2-bromonaftaleno

Specifications

Sinónimos

2-Naphthyl trifluoromethanesulfonate, 97% | 2-Naphthyl trifluoromethanesulfonate | naphthalen-2-yl trifluoromethanesulfonate | 2-Naphthyltriflate | SCHEMBL1713420 | 2-Naphthyl triflate | BS-22941 | MFCD00192341 | T72409 | A873815 | 2-naphthyltrifluorometh

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504763049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763049
• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
• IUPAC Name: naphthalen-2-yl trifluoromethanesulfonate
• InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
• INCHI: 1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 276.23
• Reaxy-Rn: 1988982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1988982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• 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: Naphthalene - 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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two 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 inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 87°C/0.2mmHg(lit.)
• Punto de fusión (°C): 32°C(lit.)
• Peso molecular: 276.230 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 276.007 Da
• Monoisotopic Mass: 276.007 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 385.000
• 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