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4-Fluoro-3-((trifluoromethyl)sulfonyl)benzene-1-sulfonyl chloride - 95%, high purity , CAS No.1027345-07-8
Basic Description
Synonyms
4-Fluoro-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl chloride | FT-0700693 | SCHEMBL1567572 | A896717 | DS-14989 | 1027345-07-8 | AKOS016011250 | SY008474 | C7H3ClF4O4S2 | 4-Fluoro-3-((trifluoromethyl)sulfonyl)benzene-1-sulfonylchloride | Benzenesulfon
Specifications & Purity
≥95%
Storage Temp
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.
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
Fluorobenzenes Aryl fluorides Sulfonyl chlorides Sulfones Organosulfonic acids and derivatives Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Trihalomethane - Alkyl fluoride - Organosulfur compound - Organofluoride - Organohalogen compound - Halomethane - Alkyl halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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
4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonyl chloride
INCHI
InChI=1S/C7H3ClF4O4S2/c8-18(15,16)4-1-2-5(9)6(3-4)17(13,14)7(10,11)12/h1-3H
InChIKey
SYZOKHJRIIDLOQ-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1S(=O)(=O)Cl)S(=O)(=O)C(F)(F)F)F
Isomeric SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)S(=O)(=O)C(F)(F)F)F
Molecular Weight
326.67
Reaxy-Rn
18345378
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18345378&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
326.700 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
325.91 Da
Monoisotopic Mass
325.91 Da
Topological Polar Surface Area
85.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
501.000
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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