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80-40-0,MFCD20691064
Catalog No.:AA003Q8M

80-40-0 | Ethyl p-toluenesulfonate

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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$8.00   $6.00
- +
25g
98%
in stock  
$11.00   $8.00
- +
100g
98%
in stock  
$19.00   $14.00
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500g
98%
in stock  
$54.00   $38.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003Q8M
Chemical Name:
Ethyl p-toluenesulfonate
CAS Number:
80-40-0
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD20691064
SMILES:
CCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
8887
Properties
Properties
 
BP:
158-162 °C10 mm Hg(lit.)  
Form:
Liquid  
MP:
29-33 °C(lit.)  
Refractive Index:
n20/D 1.511(lit.)  
Solubility:
1.24g/l  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
1.8  

Literature

Title: Design and synthesis of an ¹⁸F-labeled version of phenylethyl orvinol ([¹⁸F]FE-PEO) for PET-imaging of opioid receptors.

Journal: Molecules (Basel, Switzerland) 20120928

Title: A Sensitive and Simple HPLC-UV Method for Trace Level Quantification of Ethyl p-Toluenesulfonate and Methyl p-Toluenesulfonate, Two Potential Genotoxins in Active Pharmaceutical Ingredients.

Journal: Scientia pharmaceutica 20110101

Title: Determining the transition-state structure for different SN2 reactions using experimental nucleophile carbon and secondary alpha-deuterium kinetic isotope effects and theory.

Journal: The journal of physical chemistry. A 20081016

Title: Synthesis and Biological Analysis of Thiotetra(ethylene glycol) monomethyl Ether-Functionalized Porphyrazines: Cellular Uptake and Toxicity Studies.

Journal: Metal-based drugs 20080101

Title: Theory and use of the pseudophase model in gas-liquid chromatographic enantiomeric separations.

Journal: Analytical chemistry 20060101

Title: Structure-activity considerations and in vitro approaches to assess the genotoxicity of 19 methane-, benzene- and toluenesulfonic acid esters.

Journal: Mutation research 20050307

Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain.

Journal: Journal of medicinal chemistry 20040422

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