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3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate - 98%, high purity , CAS No.263400-88-0

COA

Grade & Purity:

≥98%

Cas Number: 263400-88-0
Molecular Weight: 292.37
PubChem CID: 22732325
PubChem SID: 504769286

In stock

Item Number

M192412

Grouped product items
SKU	Size	Availability	Price
M192412-50mg	50mg	3	$29.90
M192412-250mg	250mg	3	$120.90
M192412-1g	1g	3	$271.90
M192412-5g	5g	2	$603.90

Basic Description

Synonyms	3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate \| 263400-88-0 \| toluene-4-sulfonic acid 3-Methanesulfonyl-propyl ester \| 3-methylsulfonylpropyl 4-methylbenzenesulfonate \| 1-Propanol, 3-(methylsulfonyl)-, 1-(4-methylbenzenesulfonate) \| MFCD22124592 \| 1-[(3-methanesu
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

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 Sulfones Organooxygen compounds 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 - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic oxygen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - 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
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

Names and Identifiers

Pubchem Sid	504769286
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769286
IUPAC Name	3-methylsulfonylpropyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C11H16O5S2/c1-10-4-6-11(7-5-10)18(14,15)16-8-3-9-17(2,12)13/h4-7H,3,8-9H2,1-2H3
InChIKey	AXUFUWARAAYMCG-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OCCCS(=O)(=O)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCCS(=O)(=O)C
Molecular Weight	292.37
Reaxy-Rn	14125457
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14125457&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.

4 results found

Lot Number	Certificate Type	Date	Item
L2101500	Certificate of Analysis	Sep 14, 2024	M192412
L2101476	Certificate of Analysis	Sep 14, 2024	M192412
L2101477	Certificate of Analysis	Sep 14, 2024	M192412
L2101499	Certificate of Analysis	Sep 14, 2024	M192412

Chemical and Physical Properties

Molecular Weight	292.400 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	292.044 Da
Monoisotopic Mass	292.044 Da
Topological Polar Surface Area	94.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	433.000
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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