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Sigma-Aldrich

Benzenesulfonic acid monohydrate

97%

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About This Item

Linear Formula:
C6H5SO3H · H2O
CAS Number:
26158-00-9
Molecular Weight:
176.19
Beilstein:
4552655
EC Number:
202-638-7
MDL number:
MFCD00149976
UNSPSC Code:
12352106
PubChem Substance ID:
24868428
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

42-49 °C (lit.)

SMILES string

O.OS(=O)(=O)c1ccccc1

InChI

1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2

InChI key

MVIOINXPSFUJEN-UHFFFAOYSA-N

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Application

Benzenesulfonic acid monohydrate (PhSO3H. H2O) can be used as:
  • A catalyst to synthesize α,β-unsaturated amides via Pd-catalyzed selective aminocarbonylation of styrenes with nitroarenes.
  • A reactant to prepare amino acid benzyl ester salts for the study of gelation in nonpolar solvents.
  • A catalyst for the conversion of oxydipropionitrile (nitrile) to di-n-propyl-oxydipropionate (ester).

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332,H314

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Arenesulfonic Acids as Catalysts in the Alcholysis of Nitriles to Esters
James F and Bryan W
The Journal of Organic Chemistry, 23(8), 1225-1227 (1958)
Palladium-Catalyzed Carbonylative Synthesis of α, β -Unsaturated Amides from Styrenes and Nitroarenes
Peng, Jin-Bao and Geng, Hui-Qing and Li, Da and Qi, Xinxin and Ying, Jun and Wu, Xiao-Feng
Organic Letters, 20(16), 4988-4993 (2018)
Preparation of Benzyl and p-Nitrobenzyl Esters of Amino Acids1
SHIELDS JE, et al.
The Journal of Organic Chemistry, 26(5), 1491-1494 (1961)
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