4-Mercaptobenzoic acid
- Product Name4-Mercaptobenzoic acid
- CAS1074-36-8
- MFC7H6O2S
- MW154.19
- EINECS
- MOL File1074-36-8.mol
Chemical Properties
| Melting point | 215-224 °C (lit.) |
| Boiling point | 314.3±25.0 °C(Predicted) |
| Density | 1.345±0.06 g/cm3(Predicted) |
| storage temp. | Hygroscopic, Refrigerator, Under Inert Atmosphere |
| solubility | soluble in Alcohol,Ether |
| form | powder to crystal |
| pka | 4.05±0.10(Predicted) |
| color | White to Yellow to Green |
| Stability | Store Under Argon; Air and Temperature Sensitive |
| InChI | InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9) |
| InChIKey | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(S)C=C1 |
| CAS DataBase Reference | 1074-36-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-mercapto-(1074-36-8) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29309099 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
