54029-45-7
| Name | 2-Nitro-4-thiocyanatoaniline |
| CAS | 54029-45-7 |
| EINECS(EC#) | 258-931-5 |
| Molecular Formula | C7H5N3O2S |
| MDL Number | MFCD00463878 |
| Molecular Weight | 195.2 |
| MOL File | 54029-45-7.mol |
Chemical Properties
| Melting point | 113 °C (lit.) |
| Boiling point | 378.9±32.0 °C(Predicted) |
| density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | -2.09±0.10(Predicted) |
| color | Yellow |
| InChI | InChI=1S/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2 |
| InChIKey | QUWHIBBGKKRYFW-UHFFFAOYSA-N |
| SMILES | S(C1=CC=C(N)C([N+]([O-])=O)=C1)C#N |
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 | |
| WGK Germany | 3 |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |