2-Bromobenzenesulfonyl fluoride - ≥95% , CAS No.1373232-47-3

CAS: 1373232-47-3 Cat. No.: B468021 Molecular Weight: 239.06 EC Number: 808-511-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL17318119 | 2-Bromobenzenesulfonylfluoride | AT12021 | VS-0008 | 1373232-47-3 | AKOS026673015 | EN300-224412 | 2-Bromobenzenesulfonyl fluoride | 2-Bromo-Benzenesulfonyl fluoride | Z1618011881 | 2-Bromobenzenesulfonyl fluoride, 95% (GC) | YEC23247 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

SCHEMBL17318119 | 2-Bromobenzenesulfonylfluoride | AT12021 | VS-0008 | 1373232-47-3 | AKOS026673015 | EN300-224412 | 2-Bromobenzenesulfonyl fluoride | 2-Bromo-Benzenesulfonyl fluoride | Z1618011881 | 2-Bromobenzenesulfonyl fluoride, 95% (GC) | YEC23247 |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)S(=O)(=O)F)Br
• IUPAC Name: 2-bromobenzenesulfonyl fluoride
• InChIKey: CVLBPNVZAWKPFN-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
• Isomeric SMILES: C1=CC=C(C(=C1)S(=O)(=O)F)Br
• Molecular Weight: 239.06
• Reaxy-Rn: 28681576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28681576&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: Bromobenzenes Aryl bromides Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - 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
• Melt Point(°C): mp 45-50 °C
• Molecular Weight: 239.060 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.91 Da
• Monoisotopic Mass: 237.91 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 221.000
• 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