4′-Fluorobiphenyl-4-sulfonyl chloride - ≥95% , CAS No.116748-66-4

CAS: 116748-66-4 Cat. No.: F166184 Molecular Weight: 270.71 EC Number: 673-507-3

GRADE & PURITY ≥95%

Synonyms

4-(4-fluorophenyl)benzenesulfonyl Chloride | AS-45269 | FT-0642847 | F9995-0465 | 4'-Fluoro-1,1'-biphenyl-4-sulfonyl chloride | AKOS000813774 | [1,1'-Biphenyl]-4-sulfonyl chloride, 4'-fluoro- | OXYMETAZOLINEHCL | EN300-236118 | 4'-Fluorobiphenyl-4-sulfony

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-(4-fluorophenyl)benzenesulfonyl Chloride | AS-45269 | FT-0642847 | F9995-0465 | 4'-Fluoro-1, 1'-biphenyl-4-sulfonyl chloride | AKOS000813774 | [1, 1'-Biphenyl]-4-sulfonyl chloride, 4'-fluoro- | OXYMETAZOLINEHCL | EN300-236118 | 4'-Fluorobiphenyl-4-sulfony

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193992
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
• IUPAC Name: 4-(4-fluorophenyl)benzenesulfonyl chloride
• InChIKey: CIDMHDJTWVMBIF-UHFFFAOYSA-N
• INCHI: 1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
• Molecular Weight: 270.71
• Reaxy-Rn: 5029455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5029455&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzenesulfonyl chlorides Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzenesulfonyl chloride - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Sulfonyl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Organohalogen compound - Organic oxygen compound - Organofluoride - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 80-82℃
• Molecular Weight: 270.710 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.992 Da
• Monoisotopic Mass: 269.992 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 336.000
• 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