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Poly(ethylene glycol) methyl ether tosylate - average Mn 5,000, high purity , CAS No.58320-73-3
Basic Description
Synonyms
2-methoxyethyl-p-toluenesulfonate | SY047023 | T1303 | Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate) | 2-methoxyethyltosylate | p-toluene sulfonic acid 2-methoxyethyl ester | 2-methoxyethyl 4-methylbenzene-1-sulfonate | AKOS005111040 | 2-methoxyethyl
Specifications & Purity
average Mn 5,000
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - 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 benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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-methoxyethyl 4-methylbenzenesulfonate
INCHI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)S(=O)(=O)OCCOC
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOC
WGK Germany
3
Reaxy-Rn
2376237
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2376237&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
>230 °F
Flash Point(°C)
>110 °C
Molecular Weight
230.280 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
230.061 Da
Monoisotopic Mass
230.061 Da
Topological Polar Surface Area
61.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
260.000
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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