N-(Trifluoromethylthio)phthalimide - ≥98%(GC) , CAS No.719-98-2

CAS: 719-98-2 Cat. No.: N159237 Peso molecular: 247.19 Número EC: 808-179-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-(trifluoromethylsulfanyl)isoindole-1,3-dione | 2-[(trifluoromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione | SB66099 | SCHEMBL6643798 | SY056397 | T72876 | 2-((Trifluoromethyl)thio)isoindolin-1,3-dion | AS-61801 | MFCD18449627 | N-(trifluoromethylt

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(trifluoromethylsulfanyl)isoindole-1, 3-dione | 2-[(trifluoromethyl)sulfanyl]-2, 3-dihydro-1H-isoindole-1, 3-dione | SB66099 | SCHEMBL6643798 | SY056397 | T72876 | 2-((Trifluoromethyl)thio)isoindolin-1, 3-dion | AS-61801 | MFCD18449627 | N-(trifluoromethylt

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488197408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197408
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
• IUPAC Name: 2-(trifluoromethylsulfanyl)isoindole-1,3-dione
• InChIKey: CFNSRIIHFLPQCE-UHFFFAOYSA-N
• INCHI: 1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
• Peso molecular: 247.19
• Reaxy-Rn: 1464619
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1464619&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Benzenoids Trihalomethanes Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Trihalomethane - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic oxygen compound - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 113 °C
• Peso molecular: 247.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 246.991 Da
• Monoisotopic Mass: 246.991 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 307.000
• 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