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5-Chloro-2-cyanobenzenesulfonyl chloride - 95%, high purity , CAS No.411210-92-9
Discover 5-Chloro-2-cyanobenzenesulfonyl chloride by Aladdin Scientific in 95% for only $1,855.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
411210-92-9 | 5-Chloro-2-cyanobenzene-1-sulfonyl chloride | 5-chloro-2-cyanobenzenesulfonyl chloride | 5-Chloro-2-cyanobenzenesulfonylchloride | 5-Chloro-2-cyanobenzene-1-sulfonylchloride | SCHEMBL1941895 | DTXSID70588587 | PHNDFODTTWOSSX-UHFFFAOYSA-N | MFCD09739347 | AKOS
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Benzenesulfonyl halides
Direct Parent
Benzenesulfonyl chlorides
Alternative Parents
Benzonitriles Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Nitrile - Carbonitrile - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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.
Names and Identifiers
IUPAC Name
5-chloro-2-cyanobenzenesulfonyl chloride
INCHI
InChI=1S/C7H3Cl2NO2S/c8-6-2-1-5(4-10)7(3-6)13(9,11)12/h1-3H
InChIKey
PHNDFODTTWOSSX-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)C#N
Isomeric SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)C#N
Molecular Weight
236.1
Reaxy-Rn
5407627
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5407627&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
236.070 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
234.926 Da
Monoisotopic Mass
234.926 Da
Topological Polar Surface Area
66.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
326.000
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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