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Ethyl Phenylsulfonylacetate - 98%, high purity , CAS No.7605-30-3

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Ethyl Phenylsulfonylacetate - 98%, high purity , CAS No.7605-30-3

COA

Grade & Purity:

≥98%

Cas Number: 7605-30-3
Molecular Weight: 228.26
MDL number: MFCD00025041
PubChem CID: 82078
PubChem SID: 488186045

In stock

Item Number

E156511

Grouped product items
SKU	Size	Availability	Price
E156511-5g	5g	10	$47.90
E156511-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
E156511-25g	25g	3	$142.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	10X-0939 \| ethyl benzenesulfonylacetate \| Ethyl Phenylsulfonylacetate \| A9652 \| EINECS 231-516-6 \| UNII-B607NP0Q8Y \| phenyl carbethoxymethyl sulfone \| HMS2338D12 \| P1306 \| L-Phenylalanine, beta-phenyl- \| NJBWORPRIRNTLH-UHFFFAOYSA-N \| ethyl 2-(phenylsulfon
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Sulfones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Sulfonyl - Sulfone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488186045
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186045
IUPAC Name	ethyl 2-(benzenesulfonyl)acetate
INCHI	InChI=1S/C10H12O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey	NJBWORPRIRNTLH-UHFFFAOYSA-N
Smiles	CCOC(=O)CS(=O)(=O)C1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CS(=O)(=O)C1=CC=CC=C1
Molecular Weight	228.26
Reaxy-Rn	2052605
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052605&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
D2312159	Certificate of Analysis	Oct 15, 2022	E156511
L1813067	Certificate of Analysis	Oct 15, 2022	E156511
L1813066	Certificate of Analysis	Oct 15, 2022	E156511

Chemical and Physical Properties

Solubility	Insoluble in water; Soluble in Methanol
Melt Point(°C)	44 °C
Molecular Weight	228.270 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	228.046 Da
Monoisotopic Mass	228.046 Da
Topological Polar Surface Area	68.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	296.000
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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