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3-Chlorobenzenesulfonyl fluoride - 95%, high purity , CAS No.10116-74-2
Basic Description
Synonyms
3-Chlorobenzenesulfonyl fluoride, 95% | AKOS034834158 | EN300-224379 | BY-0250 | 3-chlorobenzenesulfonyl fluoride | 3-chloro-benzenesulfonyl fluoride | 3-Chlorobenzene-1-sulfonyl fluoride | 3-chloro-benzenesulfonylfluoride | DTXSID20617114 | SCHEMBL101832
Specifications & Purity
≥95%
Product Description
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.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
3-chlorobenzenesulfonyl fluoride
INCHI
InChI=1S/C6H4ClFO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKey
SVUFZCYVNYUZBS-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)Cl)S(=O)(=O)F
Isomeric SMILES
C1=CC(=CC(=C1)Cl)S(=O)(=O)F
UN Number
3265
Molecular Weight
194.61
Reaxy-Rn
3248786
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3248786&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n/D 1.5161
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
194.610 g/mol
XLogP3
2.500
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
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
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