Taxonomic Classification

Taxonomy Tree

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 Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organofluoride - Organohalogen compound - Organosulfur compound - 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
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
H1909201	Certificate of Analysis	Mar 09, 2023	T167941

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.504
Flash Point(°F)	224.6 °F
Flash Point(°C)	107 °C
Molecular Weight	230.590 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	229.942 Da
Monoisotopic Mass	229.942 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	276.000
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

Solution Calculators

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Reviews

Canonical Smiles	C1=CC(=C(C(=C1F)F)F)S(=O)(=O)Cl
IUPAC Name	2,3,4-trifluorobenzenesulfonyl chloride
InChIKey	XFTDZYFHXRZLEF-UHFFFAOYSA-N
INCHI	1S/C6H2ClF3O2S/c7-13(11,12)4-2-1-3(8)5(9)6(4)10/h1-2H
Isomeric SMILES	C1=CC(=C(C(=C1F)F)F)S(=O)(=O)Cl
WGK Germany	3
PubChem CID	2776977
Molecular Weight	230.59

2,3,4-Trifluorobenzenesulfonyl chloride - ≥97% , CAS No.175278-08-7

Specifications