53645-95-7
| Name | 2-BROMO-5-PHENYL-1,3,4-THIADIAZOLE |
| CAS | 53645-95-7 |
| Molecular Formula | C8H5BrN2S |
| MDL Number | MFCD08436697 |
| Molecular Weight | 241.11 |
| MOL File | 53645-95-7.mol |
Chemical Properties
| Melting point | 86-90 °C |
| Boiling point | 125-130 °C(Press: 0.4 Torr) |
| density | 1.642±0.06 g/cm3(Predicted) |
| storage temp. | Storage temp. 2-8°C |
| form | powder |
| pka | -1.88±0.10(Predicted) |
| Appearance | Light yellow to brown Solid |
| InChI | InChI=1S/C8H5BrN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H |
| InChIKey | NVQXBSUUWVZRCA-UHFFFAOYSA-N |
| SMILES | S1C(C2=CC=CC=C2)=NN=C1Br |
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 | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HS Code | 2934999090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |