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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

Quality Level

100

Assay

97%

form

solid

mp

42-49 °C (lit.)

functional group

sulfonic acid

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

448737-VAR:
448737-50G:
448737-250G:
448737-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP0425
MKBN5573V
MKBL5874V
MKBK4518V
MKBJ4368V

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