Trifluoromethanesulfonic Acid 4-Nitrophenyl Ester - ≥99% , CAS No.17763-80-3

CAS: 17763-80-3 Cat. No.: N159077 Peso molecular: 271.17 Número EC: 627-475-2

GRADE & PURITY ≥99%

Synonyms

trifluoromethanesulfonic acid 4-nitrophenyl ester | trifluoromethanesulfonic acid4-nitrophenyl ester | J-011302 | AKOS003672484 | 4-(trifluoromethylsulfonyloxy)-1-nitrobenzene | 4-Nitrophenyl triflate | Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitropheny

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

trifluoromethanesulfonic acid 4-nitrophenyl ester | trifluoromethanesulfonic acid4-nitrophenyl ester | J-011302 | AKOS003672484 | 4-(trifluoromethylsulfonyloxy)-1-nitrobenzene | 4-Nitrophenyl triflate | Methanesulfonic acid, 1, 1, 1-trifluoro-, 4-nitropheny

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190253
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190253
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
• IUPAC Name: (4-nitrophenyl) trifluoromethanesulfonate
• InChIKey: NDTIXHNCNLKURN-UHFFFAOYSA-N
• INCHI: 1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-3-1-5(2-4-6)11(12)13/h1-4H
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 271.17
• Reaxy-Rn: 1998336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1998336&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Trifluoromethanesulfonates Phenoxy compounds Nitroaromatic compounds Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Trihalomethane - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 52-56℃
• Peso molecular: 271.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 270.976 Da
• Monoisotopic Mass: 270.976 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 374.000
• 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