Benzenesulfonic acid monohydrate
ALDRICH/448737 - 97%
CAS Number: 26158-00-9
Empirical Formula (Hill Notation): C6H6O3S · H2O
Molecular Weight: 176.19
EC Number: 202-638-7
MDL Number: MFCD00149976
Linear Formula: C6H5SO3H · H2O
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 448737-250G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 448737-50G
| assay | 97% |
| form | solid |
| functional group | sulfonic acid |
| InChI | 1S/C6H6O3S.H2O/c7-10(8,9) |
| InChI key | MVIOINXPSFUJEN-UHFFFAOYSA |
| mp | 42-49 °C (lit.) |
| Quality Level | 100  |
| SMILES string | O.OS(=O)(=O)c1ccccc1 |
| 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). |
| Packaging: | 50, 250 g in glass bottle |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H314 |
| Precautionary statements | P260 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 20/21/22-34 |
| Safety Statements | 26-27-36/37/39-45 |
| RIDADR | UN 2585PSN2 8 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 97% |
| mp | 42-49 °C (lit.) |
| UNSPSC | 12352106 |