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Merck
CN

129631

2-Mesitylenesulfonic acid dihydrate

97%

Synonym(s):

2,4,6-Trimethylbenzenesulfonic acid dihydrate

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About This Item

Linear Formula:
(CH3)3C6H2SO3H · 2H2O
CAS Number:
835617-36-2
Molecular Weight:
236.29
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847919
MDL number:
MFCD00149535
Beilstein/REAXYS Number:
1961501

Key Documents

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Product Name

2-Mesitylenesulfonic acid dihydrate, 97%

Quality Level

100

InChI

1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2

SMILES string

[H]O[H].[H]O[H].Cc1cc(C)c(c(C)c1)S(O)(=O)=O

InChI key

LIKWMDGAWXCECN-UHFFFAOYSA-N

assay

97%

form

solid

mp

74-78 °C (lit.)

functional group

sulfonic acid

storage temp.

2-8°C

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Related Categories

Application

2-Mesitylenesulfonic acid dehydrate was used in the preparation of tert-Butyl (2S,4S)-N,N-di-tert-butoxycarbonyl-5-fluoroleucine.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBK5188
STBH7591
STBB9860V
S46374
11022EH

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Jean-Damien Charrier et al.
Organic & biomolecular chemistry, 2(4), 474-482 (2004-02-11)
Syntheses of (2S,4S)- and (2S,4R)-5-fluoroleucine, and, and of (2S,4S)-[5,5-(2)H(2)]-5-fluoroleucine, have been completed. The methodology allows these compounds to be prepared in sufficient quantities for incorporation by solid-state protein synthesis into strategic sites in proteins for folding studies. X-ray structures of

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