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3-Chloro-4-(trifluoromethoxy)benzenesulfonyl chloride - 98%, high purity , CAS No.886762-48-7
Basic Description
Synonyms
3-chloro-4-(trifluoromethoxy)benzenesulfonyl Chloride | 886762-48-7 | 3-chloro-4-(trifluoromethoxy)benzene-1-sulfonyl chloride | 3-Chloro-4-(trifluoromethoxy)-benzenesulfonyl chloride | 3-Chloro-4-(trifluoromethoxy)benzenesulphonylchloride | 3-Chloro-4-(trifluorome
Specifications & Purity
≥98%
Storage Temp
Room temperature
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
Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - 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
3-chloro-4-(trifluoromethoxy)benzenesulfonyl chloride
INCHI
InChI=1S/C7H3Cl2F3O3S/c8-5-3-4(16(9,13)14)1-2-6(5)15-7(10,11)12/h1-3H
InChIKey
LKVVZQXNPJBJDU-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)OC(F)(F)F
Isomeric SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)OC(F)(F)F
Molecular Weight
295.1
Reaxy-Rn
22017459
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22017459&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
295.060 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
293.913 Da
Monoisotopic Mass
293.913 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
338.000
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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