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Phenyl p-Toluenesulfonate - 98%, high purity , CAS No.640-60-8

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Phenyl p-Toluenesulfonate - 98%, high purity , CAS No.640-60-8

COA

Grade & Purity:

≥98%

Cas Number: 640-60-8
Molecular Weight: 248.3
MDL number: MFCD00025996
PubChem CID: 223146

In stock

Item Number

P491745

Grouped product items
SKU	Size	Availability	Price
P491745-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
P491745-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
P491745-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90

Basic Description

Synonyms	640-60-8 \| Phenyl 4-methylbenzenesulfonate \| Phenyl p-Toluenesulfonate \| p-Toluenesulfonic Acid Phenyl Ester \| Phenyl para-toluenesulfonate \| phenyl tosylate \| phenyl 4-toluenesulfonate \| MLS002638141 \| MFCD00025996 \| phenyl 4-methylbenzene-1-sulfonate \| SCHEMBL346667 \| Phenyl
Specifications & Purity	≥98%
Shipped In	Normal

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 Phenoxy compounds Organosulfonic acid esters Sulfonyls Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen 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

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

IUPAC Name	phenyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C13H12O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey	KZQFPRKQBWRRHQ-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2
PubChem CID	223146
Molecular Weight	248.3
Reaxy-Rn	2215453

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	96 °C
Molecular Weight	248.300 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.051 Da
Monoisotopic Mass	248.051 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	317.000
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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