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Merck
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Key Documents

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30-3360

Sigma-Aldrich

p-Toluenesulfonic acid monohydrate

SAJ first grade, ≥99.0%

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About This Item

Fórmula lineal:
CH3C6H4SO3H · H2O
Número de CAS:
6192-52-5
Peso molecular:
190.22
Beilstein/REAXYS Number:
3568023
EC Number:
203-180-0
MDL number:
MFCD00142137
UNSPSC Code:
12352002
PubChem Substance ID:
329753474

grade

SAJ first grade

vapor density

5.9 (vs air)

assay

≥99.0%

form

solid

availability

available only in Japan

mp

103-106 °C (lit.)

SMILES string

[H]O[H].Cc1ccc(cc1)S(O)(=O)=O

InChI

1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2

InChI key

KJIFKLIQANRMOU-UHFFFAOYSA-N

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Ljupčo Pejov et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(1), 27-34 (2011-03-23)
The 1:1 p-toluenesulfonic acid-water complex, p-toluenesulfonic acid itself and the p-toluenesulfonate anion were studied at HF and B3LYP/6-31+G(d,p) levels of theory. Full geometry optimizations of the aforementioned species reveal non-existence of ionic minima on the explored 1:1 p-toluenesulfonic acid-water complex
Francis Gosselin et al.
The Journal of organic chemistry, 75(12), 4154-4160 (2010-05-22)
Practical, chromatography-free syntheses of 5-lipoxygenase inhibitor MK-0633 p-toluenesulfonate (1) are described. The first route used an asymmetric zincate addition to ethyl 2,2,2-trifluoropyruvate followed by 1,3,4-oxadiazole formation and reductive amination as key steps. An improved second route features an inexpensive diastereomeric
Jhonny Azuaje et al.
ACS combinatorial science, 13(1), 89-95 (2011-01-21)
We document here the use of polymer-supported p-toluenesulfonic acid as a highly effective, robust, economical and eco-friendly isocyanide scavenger. The herein described strategy circumvent the intense and repulsive odor of volatile isocyanides, enabling simplified and odorless workup and purifications. The
Pei Liu et al.
Organic & biomolecular chemistry, 10(24), 4696-4698 (2012-05-18)
A convenient one-pot Mannich-type-cyclization-oxidation tandem process has been developed for the synthesis of 1,3,5-trisubstituted pyrazoles derivatives from aldehydes, hydrazines and alkynes using p-toluenesulfonic acid monohydrate (PTSA) as a multifunctional catalyst. This method provides a flexible and rapid route to 1,3,5-trisubstituted
Zhiqiang Ji et al.
Inorganic chemistry, 49(4), 1337-1346 (2010-01-23)
Two back-to-back terpyridine ligands using fluorenyl as bridging group (1-L and 2-L) and their corresponding dinuclear platinum(II) complexes (1 and 2) were synthesized and characterized. Their electronic absorption, photoluminescence, and the triplet transient difference absorption were systematically investigated. Both ligands
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