2-Nitro-5-thiocyanatobenzoic acid
- Product Name2-Nitro-5-thiocyanatobenzoic acid
- CAS30211-77-9
- MFC8H4N2O4S
- MW224.19
- EINECS250-093-9
- MOL File30211-77-9.mol
Chemical Properties
| Melting point | 156-157 °C(lit.) |
| Boiling point | 449.0±40.0 °C(Predicted) |
| Density | 1.63 |
| refractive index | 1.5690 (estimate) |
| Flash point | 225.4℃ |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | DMF: 25 mg/ml; DMSO: 11 mg/ml; Ethanol: 25 mg/ml; PBS (pH 7.2): 0.3 mg/ml |
| form | powder |
| pka | 1.75±0.25(Predicted) |
| color | yellow |
| BRN | 2124001 |
| InChI | InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12) |
| InChIKey | NQUNIMFHIWQQGJ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(SC#N)=CC=C1[N+]([O-])=O |
| EPA Substance Registry System | Benzoic acid, 2-nitro-5-thiocyanato- (30211-77-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| F | 8-21 |
| TSCA | TSCA listed |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
