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Cyclohexyl p-Toluenesulfonate - >98.0%(HPLC), high purity , CAS No.953-91-3

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 953-91-3
Molecular Weight: 254.34
Beilstein Registry Number: 11(4)255
MDL number: MFCD00014291
PubChem CID: 13722
PubChem SID: 488181896

In stock

Item Number

C153675

Grouped product items
SKU	Size	Availability	Price
C153675-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
C153675-5g	5g	8	$41.90
C153675-25g	25g	1	$157.90

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Element classified compounds (2014) Sulfur containing compounds (986)

Basic Description

Synonyms	Benzenesulfonic acid, cyclohexyl ester \| cyclohexyl-p-toluenesulfonate \| C2363 \| NSC 127370 \| NSC127370 \| NSC-127370 \| Cyclohexyl p-toluenesulfonate \| cyclohexyltosylate \| EINECS 213-468-8 \| p-Toluenesulfonic Acid Cyclohexyl Ester \| 4-methylbenzenesulfoni
Specifications & Purity	≥98%(HPLC)
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 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 - 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

Names and Identifiers

Pubchem Sid	488181896
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181896
IUPAC Name	cyclohexyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKey	OHHPZPDQZMUTCA-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2
Molecular Weight	254.34
Beilstein	11(4)255
Reaxy-Rn	2217391
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217391&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
C2330674	Certificate of Analysis	Feb 16, 2022	C153675
D1825045	Certificate of Analysis	Feb 16, 2022	C153675
D1825044	Certificate of Analysis	Feb 16, 2022	C153675

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Melt Point(°C)	45 °C
Molecular Weight	254.350 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	254.098 Da
Monoisotopic Mass	254.098 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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