163725-12-0
| Name | 2-(2-CYANOPHENYLTHIO)BENZOIC ACID |
| CAS | 163725-12-0 |
| Molecular Formula | C14H9NO2S |
| MDL Number | MFCD00075348 |
| Molecular Weight | 255.29 |
| MOL File | 163725-12-0.mol |
Chemical Properties
| Melting point | 210-215 °C (lit.) |
| Boiling point | 423.7±30.0 °C(Predicted) |
| density | 1.38±0.1 g/cm3(Predicted) |
| pka | 3.34±0.36(Predicted) |
| InChI | 1S/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17) |
| InChIKey | FMGHXZOIAXNGOL-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1Sc2ccccc2C#N |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H312-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |