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129631

Sigma-Aldrich

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
Beilstein:
1961501
MDL number:
MFCD00149535
UNSPSC Code:
12352100
PubChem Substance ID:
24847919
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

74-78 °C (lit.)

functional group

sulfonic acid

storage temp.

2-8°C

SMILES string

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

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

InChI key

LIKWMDGAWXCECN-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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