3-Fluoro-4-nitrobenzenesulfonyl chloride - ≥98% , CAS No.86156-93-6

CAS: 86156-93-6 Cat. No.: F491766 Peso molecular: 239.61 Número EC: 679-316-1

GRADE & PURITY ≥98%

Synonyms

DTXSID10574500 | 3-Fluoro-4-nitrobenzenesulfonyl chloride | 3-Fluoro-4-nitro-benzenesulfonyl chloride | 3-fluoro-4-nitrobenzenesulfonyl chloride, AldrichCPR | AMY17867 | FT-0642033 | CL9640 | EN300-55294 | SCHEMBL17106 | 3-fluoro-4-nitrobenzene-1-sulfonyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID10574500 | 3-Fluoro-4-nitrobenzenesulfonyl chloride | 3-Fluoro-4-nitro-benzenesulfonyl chloride | 3-fluoro-4-nitrobenzenesulfonyl chloride, AldrichCPR | AMY17867 | FT-0642033 | CL9640 | EN300-55294 | SCHEMBL17106 | 3-fluoro-4-nitrobenzene-1-sulfonyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198924
• Sonrisas canónicas: C1=CC(=C(C=C1S(=O)(=O)Cl)F)[N+](=O)[O-]
• IUPAC Name: 3-fluoro-4-nitrobenzenesulfonyl chloride
• InChIKey: AAWFUSFNPBRQDE-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-6(9(10)11)5(8)3-4/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)F)[N+](=O)[O-]
• Peso molecular: 239.61
• Reaxy-Rn: 6404585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6404585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds
        • Level5 Benzenesulfonyl halides
          • Level6 Benzenesulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom.
• 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 (°C): 167.2°C
• Punto de ebullición (°C): 126°/0.25mm
• Punto de fusión (°C): 44-48°
• Peso molecular: 239.610 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.946 Da
• Monoisotopic Mass: 238.946 Da
• Topological Polar Surface Area: 88.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 322.000
• 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