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5-Ethyl-2-methoxy-benzenesulfonyl chloride - 98%, high purity , CAS No.88040-88-4
Basic Description
Synonyms
88040-88-4 | 5-ethyl-2-methoxybenzene-1-sulfonyl chloride | 5-ethyl-2-methoxy-benzenesulfonyl Chloride | 5-ethyl-2-methoxybenzenesulfonyl chloride | MFCD03424997 | SCHEMBL741235 | DTXSID00374531 | AB1434 | AKOS005139309 | 5-Ethyl-2-methoxybenzenesulfonylchloride | 5-ethyl-2-
Specifications & Purity
≥98%
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 Methoxybenzenes Anisoles Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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
5-ethyl-2-methoxybenzenesulfonyl chloride
INCHI
InChI=1S/C9H11ClO3S/c1-3-7-4-5-8(13-2)9(6-7)14(10,11)12/h4-6H,3H2,1-2H3
InChIKey
VHCODCZMAYFSHT-UHFFFAOYSA-N
Smiles
CCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl
Isomeric SMILES
CCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl
Molecular Weight
234.7
Reaxy-Rn
2646462
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646462&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
234.700 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
234.012 Da
Monoisotopic Mass
234.012 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
270.000
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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