2-Nitro-4-thiocyanatoaniline
- Product Name2-Nitro-4-thiocyanatoaniline
- CAS54029-45-7
- CBNumberCB1504767
- MFC7H5N3O2S
- MW195.2
- EINECS258-931-5
- MDL NumberMFCD00463878
- MOL File54029-45-7.mol
- MSDS FileSDS
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) |
| pka | -2.09±0.10(Predicted) |
| form | Solid |
| 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 |
| FDA UNII | P5R584ZAAL |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
