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2，5-Bis(2，2，2-trifluoroethoxy)benzenesulfonyl chloride - ≥98%, high purity , CAS No.152457-95-9
Basic Description
Specifications & Purity
≥98%
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 Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Phenoxy compound - Phenol ether - Alkyl aryl ether - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - 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
2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
INCHI
InChI=1S/C10H7ClF6O4S/c11-22(18,19)8-3-6(20-4-9(12,13)14)1-2-7(8)21-5-10(15,16)17/h1-3H,4-5H2
InChIKey
UCHAULDYIPVTOP-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1OCC(F)(F)F)S(=O)(=O)Cl)OCC(F)(F)F
Isomeric SMILES
C1=CC(=C(C=C1OCC(F)(F)F)S(=O)(=O)Cl)OCC(F)(F)F
PubChem CID
2736077
Molecular Weight
372.67
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
48-52°
Molecular Weight
372.670 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
5
Exact Mass
371.966 Da
Monoisotopic Mass
371.966 Da
Topological Polar Surface Area
61.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
458.000
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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