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About This Item
Linear Formula:
C6H5SO3H · H2O
CAS Number:
Molecular Weight:
176.19
Beilstein:
4552655
EC Number:
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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.[1]
- A reactant to prepare amino acid benzyl ester salts for the study of gelation in nonpolar solvents.[2]
- A catalyst for the conversion of oxydipropionitrile (nitrile) to di-n-propyl-oxydipropionate (ester).[3]
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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