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448737

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

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)

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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)
Mike Barbeck et al.
International journal of molecular sciences, 21(9) (2020-05-02)
Bioresorbable collagenous barrier membranes are used to prevent premature soft tissue ingrowth and to allow bone regeneration. For volume stable indications, only non-absorbable synthetic materials are available. This study investigates a new bioresorbable hydrofluoric acid (HF)-treated magnesium (Mg) mesh in
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)
Karl H Schneider et al.
Acta biomaterialia, 116, 246-258 (2020-09-02)
Vascular grafts with a diameter of less than 6 mm are made from a variety of materials and techniques to provide alternatives to autologous vascular grafts. Decellularized materials have been proposed as a possible approach to create extracellular matrix (ECM) vascular
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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