3-Chloro-2-fluorobenzenesulfonyl Chloride - ≥98%(GC) , CAS No.351003-48-0

CAS: 351003-48-0 Cat. No.: C136572 Molecular Weight: 229.05 EC Number: 624-200-8

GRADE & PURITY ≥98%(GC)

Synonyms

3-Chloro-2-fluorobenzenesulfonyl chloride | 3-chloro-2-fluoro-benzenesulfonyl Chloride | A24234 | 3-chloro-2-fluorobenzenesulfonylchloride | 3-Chloro-2-fluorobenzenesulphonyl chloride | AM62503 | EN300-39480 | LIRQNYQIFFLGIE-UHFFFAOYSA-N | Benzenesulfonyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Chloro-2-fluorobenzenesulfonyl chloride | 3-chloro-2-fluoro-benzenesulfonyl Chloride | A24234 | 3-chloro-2-fluorobenzenesulfonylchloride | 3-Chloro-2-fluorobenzenesulphonyl chloride | AM62503 | EN300-39480 | LIRQNYQIFFLGIE-UHFFFAOYSA-N | Benzenesulfonyl

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488193779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193779
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)Cl
• IUPAC Name: 3-chloro-2-fluorobenzenesulfonyl chloride
• InChIKey: LIRQNYQIFFLGIE-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)Cl
• WGK Germany: 3
• Molecular Weight: 229.05
• Reaxy-Rn: 10531731
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10531731&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Hydrolyzes in water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.554
• Flash Point(°F): 230 °F
• Flash Point(°C): >110℃
• Molecular Weight: 229.060 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.921 Da
• Monoisotopic Mass: 227.921 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 249.000
• 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