3-Cyano-5-fluorobenzene-1-sulfonyl chloride - ≥95% , CAS No.1261644-49-8

CAS: 1261644-49-8 Cat. No.: C586849 Peso molecular: 219.62 Número EC: 839-577-6

GRADE & PURITY ≥95%

Synonyms

AKOS006336644 | BS-15105 | SCHEMBL16235968 | ZQEROTOETXELJU-UHFFFAOYSA-N | AB75584 | 3-CYANO-5-FLUOROBENZENE-1-SULFONYLCHLORIDE | MFCD18394025 | EN300-365588 | 1261644-49-8 | 3-CYANO-5-FLUOROBENZENESULFONYL CHLORIDE | SY222080 | 3-CYANO-5-FLUOROBENZENE-1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006336644 | BS-15105 | SCHEMBL16235968 | ZQEROTOETXELJU-UHFFFAOYSA-N | AB75584 | 3-CYANO-5-FLUOROBENZENE-1-SULFONYLCHLORIDE | MFCD18394025 | EN300-365588 | 1261644-49-8 | 3-CYANO-5-FLUOROBENZENESULFONYL CHLORIDE | SY222080 | 3-CYANO-5-FLUOROBENZENE-1-

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C=C(C=C1F)S(=O)(=O)Cl)C#N
• IUPAC Name: 3-cyano-5-fluorobenzenesulfonyl chloride
• InChIKey: ZQEROTOETXELJU-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H
• Isómeros SMILES: C1=C(C=C(C=C1F)S(=O)(=O)Cl)C#N
• Peso molecular: 219.62
• Reaxy-Rn: 38040669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38040669&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: Benzonitriles Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Nitriles Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Nitrile - Carbonitrile - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - 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

• Peso molecular: 219.620 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.956 Da
• Monoisotopic Mass: 218.956 Da
• Topological Polar Surface Area: 66.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 328.000
• 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