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Trichloromethanesulfonyl Chloride - >95.0%(T), high purity , CAS No.2547-61-7
Basic Description
Synonyms
EN300-298206 | NSC59663 | NSC-59663 | NSC 59663 | T0611 | MFCD00007452 | EINECS 219-830-1 | Trichloromethanesulfonylchloride | AKOS006222950 | D92368 | SCHEMBL80212 | Trichloromethylsulfonyl chloride | J-016008 | FT-0634354 | VS-08573 | Z1203132650 | BBL0
Specifications & Purity
≥95%(T)
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Trichloromethanesulfonyl chloride is an efficient free radical chlorinating agent. It reacts with pent-4-enylcobaloximes in inert solvent under tugsten lamp irradiation to yield 2-(β,β,β- trichloroethyl)sulfolanes. It also reacts with trimethylsilyl enol ethers of acetophenones in the presence of a ruthenium (II) phosphine complex to yield 1-aryl-3,3-dichloropropen-1-one and α-chloroacetophenones.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Sulfonyl halides
Subclass
Sulfonyl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Sulfonyl chlorides
Alternative Parents
Sulfonyls Organosulfonic acids and derivatives Trihalomethanes Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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
trichloromethanesulfonyl chloride
INCHI
InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7
InChIKey
ZCPSWAFANXCCOT-UHFFFAOYSA-N
Smiles
C(S(=O)(=O)Cl)(Cl)(Cl)Cl
Isomeric SMILES
C(S(=O)(=O)Cl)(Cl)(Cl)Cl
WGK Germany
3
PubChem CID
75684
Molecular Weight
217.87
Beilstein
3,19
Reaxy-Rn
1099679
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in toluene.
Sensitivity
Moisture sensitive.
Melt Point(°C)
141 °C
Molecular Weight
217.900 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
217.834 Da
Monoisotopic Mass
215.837 Da
Topological Polar Surface Area
42.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
157.000
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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D2112089