98-91-9
| Name | Thiobenzoic acid |
| CAS | 98-91-9 |
| EINECS(EC#) | 202-712-9 |
| Molecular Formula | C7H6OS |
| MDL Number | MFCD00004852 |
| Molecular Weight | 138.19 |
| MOL File | 98-91-9.mol |
Chemical Properties
| Appearance | clear yellow to brown liquid |
| Melting point | 15-18 °C (lit.) |
| Boiling point | 122 °C/30 mmHg (lit.) |
| density | 1.174 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | >230 °F |
| storage temp. | 2-8°C |
| solubility | soluble in Chloroform, Ethyl Acetate |
| form | Liquid |
| pka | 3.61±0.10(Predicted) |
| color | Clear yellow to brown |
| Specific Gravity | 1.174 |
| Water Solubility | insoluble |
| Sensitive | Air Sensitive |
| BRN | 1071790 |
| InChI | 1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey | UIJGNTRUPZPVNG-UHFFFAOYSA-N |
| SMILES | SC(=O)c1ccccc1 |
| LogP | 1.645 (est) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DH6839000 |
| F | 9-13-23 |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29309070 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |