113170-72-2
| Name | 3-BROMO-4,5-DIAMINOBENZOTRIFLUORIDE |
| CAS | 113170-72-2 |
| Molecular Formula | C7H6BrF3N2 |
| MDL Number | MFCD00042484 |
| Molecular Weight | 255.04 |
| MOL File | 113170-72-2.mol |
Chemical Properties
| Appearance | white to pinkish-brown powder |
| Melting point | 60-64 °C |
| Boiling point | 273.9±40.0 °C(Predicted) |
| density | 1.774±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator (+4°C) |
| form | powder |
| pka | 1.87±0.10(Predicted) |
| color | Faint beige to light brown |
| InChI | 1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2 |
| InChIKey | OVGAPUVMLZWQQF-UHFFFAOYSA-N |
| SMILES | Nc1cc(cc(Br)c1N)C(F)(F)F |
| CAS DataBase Reference | 113170-72-2(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 3 |
| Hazard Note | Toxic |
| HazardClass | 6.1 |
| HazardClass | TOXIC |
| HS Code | 29039990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |