3-Nitrophenyl isothiocyanate
- Product Name3-Nitrophenyl isothiocyanate
- CAS3529-82-6
- MFC7H4N2O2S
- MW180.18
- EINECS628-314-9
- MOL File3529-82-6.mol
Chemical Properties
| Melting point | 57-60 °C(lit.) |
| Boiling point | 277.5°C (rough estimate) |
| Density | 1.4360 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | 2-8°C |
| Water Solubility | 50.45mg/L(25 ºC) |
| Sensitive | Moisture Sensitive |
| BRN | 2094061 |
| InChI | InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H |
| InChIKey | OEZXLKSZOAWNJU-UHFFFAOYSA-N |
| SMILES | C1(N=C=S)=CC=CC([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 3529-82-6(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, 1-isothiocyanato-3-nitro- (3529-82-6) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 3261 8/PG 3 |
| WGK Germany | 3 |
| RTECS | NX9110000 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29309090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
