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Merck
CN

T35920

p-甲苯磺酸 一水合物

≥98%, solid, ReagentPlus®

别名:

4-Methylbenzenesulfonic acid monohydrate, 4-Toluenesulfonic acid monohydrate, PTSA monohydrate, TsOH monohydrate

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关于此项目

线性分子式:
CH3C6H4SO3H · H2O
化学文摘社编号:
6192-52-5
分子量:
190.22
UNSPSC Code:
12352100
PubChem Substance ID:
57654665
NACRES:
NA.21
EC Number:
203-180-0
MDL number:
MFCD00142137
Beilstein/REAXYS Number:
3568023

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产品名称

p-甲苯磺酸 一水合物, ReagentPlus®, ≥98%

InChI key

[KJIFKLIQANRMOU-UHFFFAOYSA-N]
KJIFKLIQANRMOU-UHFFFAOYSA-N

InChI

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

SMILES string

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

vapor density

5.9 (vs air)
5.9 (vs air)

product line

ReagentPlus®

assay

≥98%

form

solid

mp

103-106 °C ((lit.))
103-106 °C (lit.)

functional group

tosylate

Quality Level

200

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相关类别

Application

在温和条件下，p -甲苯磺酸一水合物可作为 Friedel-Crafts 催化剂的更好替代品，用于芳香核与活化的烷基卤化物、烯烃或甲苯磺酸盐的烷基化反应。

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1C - STOT SE 3

target_organs

Respiratory system

存储类别

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCP1761
BCCP1762
BCCP1758
BCCN8814
BCCN8534

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Detailed characterization of p-toluenesulfonic acid monohydrate as a convenient, recoverable, safe, and selective catalyst for alkylation of the aromatic nucleus.
Mahindaratne MPD and Wimalasena K.
The Journal of Organic Chemistry, 63(9), 2858-2866 (1998)
Chika Taniguchi et al.
International journal of pharmaceutics, 434(1-2), 148-154 (2012-05-31)
This study was undertaken to develop new dipyridamole (DP) formulations with acidic microenvironmental pH-modifiers for improving dissolution and absorption under hypochlorhydric conditions. Dipyridamole granules (DPG) with ten acidic pH-modifiers were prepared with conventional wet granulation, and their manufacturability, stability and
Abdullah S Al-Bogami et al.
Ultrasonics sonochemistry, 20(5), 1194-1202 (2013-04-18)
The present paper deal with the multi-component condensation of 8-hydroxy quinoline, aromatic aldehydes, and sulfone derivatives catalyzed by p-toluenesulfonic acid for the synthesis of a series of 4H-pyrano[3,2-h]quinoline derivatives in ethanol under ultrasonic irradiations. We provide a series of quinoline
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
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