4-Chlorobenzenesulfonyl fluoride - ≥95% , CAS No.349-89-3

CAS: 349-89-3 Cat. No.: C467251 Molecular Weight: 194.61 EC Number: 809-009-1

GRADE & PURITY ≥95%

Synonyms

AKOS006279557 | F72301 | p-Chlorobenzenesulfonyl fluoride | UNII-SC4JC5PRH5 | SC4JC5PRH5 | Z1198157369 | Benzenesulfonyl fluoride, 4-chloro- | BRN 2091507 | SCHEMBL2152262 | 4-Chlorophenylsulfonyl fluoride | DTXSID80188456 | NSC 12521 | VS-0002 | 4-chloro

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Description

Sulfonyl fluoride motif can be used as a connector for the assembly of-SO2- linked small molecules with proteins or nucleic acids.This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Specifications

Synonyms

AKOS006279557 | F72301 | p-Chlorobenzenesulfonyl fluoride | UNII-SC4JC5PRH5 | SC4JC5PRH5 | Z1198157369 | Benzenesulfonyl fluoride, 4-chloro- | BRN 2091507 | SCHEMBL2152262 | 4-Chlorophenylsulfonyl fluoride | DTXSID80188456 | NSC 12521 | VS-0002 | 4-chloro

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186874
• Canonical Smiles: C1=CC(=CC=C1S(=O)(=O)F)Cl
• IUPAC Name: 4-chlorobenzenesulfonyl fluoride
• InChIKey: PCTLRVPDZBVCMP-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClFO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
• Isomeric SMILES: C1=CC(=CC=C1S(=O)(=O)F)Cl
• UN Number: 3261
• Molecular Weight: 194.61
• Reaxy-Rn: 2091507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091507&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 45-50℃
• Molecular Weight: 194.610 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.96 Da
• Monoisotopic Mass: 193.96 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 213.000
• 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