5398-77-6
| Name | 4-Methylsulphonyl benzaldehyde |
| CAS | 5398-77-6 |
| EINECS(EC#) | 674-175-2 |
| Molecular Formula | C8H8O3S |
| MDL Number | MFCD00216485 |
| Molecular Weight | 184.21 |
| MOL File | 5398-77-6.mol |
Chemical Properties
| Appearance | light yellow-beige to light brown crystalline |
| Melting point | 155-161 °C |
| Boiling point | 288.16°C (rough estimate) |
| density | 1.3761 (rough estimate) |
| refractive index | 1.5151 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform, Methanol |
| form | Crystalline Powder or Crystals |
| color | Light yellow-beige to light brown |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChIKey | PSVPUHBSBYJSMQ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(S(C)(=O)=O)C=C1 |
| CAS DataBase Reference | 5398-77-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| Hazard Note | Irritant |
| HS Code | 29130000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |