
86-93-1
| Name | 1-Phenyltetrazole-5-thiol |
| CAS | 86-93-1 |
| EINECS(EC#) | 201-710-5 |
| Molecular Formula | C7H6N4S |
| MDL Number | MFCD00003129 |
| Molecular Weight | 178.21 |
| MOL File | 86-93-1.mol |
Chemical Properties
| Appearance | white to slightly yellow crystals or fluffy powder |
| Melting point | 145 °C (dec.)(lit.) |
| Boiling point | 342°C (rough estimate) |
| density | 1.3046 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Fp | 138°C |
| storage temp. | Store at +15°C to +25°C. |
| solubility | ethanol: soluble5%, clear, colorless to faintly yellow |
| form | Solid |
| pka | -3.85±0.20(Predicted) |
| color | White to Off-White |
| PH | 3-5 (H2O, 20℃)suspension |
| Water Solubility | Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol. |
| Sensitive | Air Sensitive |
| Detection Methods | T,NMR |
| BRN | 139068 |
| InChI | 1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12) |
| InChIKey | GGZHVNZHFYCSEV-UHFFFAOYSA-N |
| SMILES | Sc1nnnn1-c2ccccc2 |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H228-H317-H319-H413 |
| Precautionary statements | P210-P240-P273-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 1 |
| RTECS | XF7700000 |
| F | 4.10 |
| Hazard Note | Flammable |
| TSCA | Yes |
| REACH Registrations | Active |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 29339990 |
| Storage Class | 4.1A - Other explosive hazardous materials |
| Hazard Classifications | Aquatic Chronic 4 Eye Irrit. 2 Flam. Sol. 1 Skin Sens. 1 |

