4-Nitrophenyl isothiocyanate
- Product Name4-Nitrophenyl isothiocyanate
- CAS2131-61-5
- MFC7H4N2O2S
- MW180.18
- EINECS218-359-9
- MOL File2131-61-5.mol
Chemical Properties
| Melting point | 110-112 °C(lit.) |
| Boiling point | 137-138 °C11 mm Hg(lit.) |
| Density | 1.4360 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| Flash point | 137-138°C/11mm |
| storage temp. | Store at <= 20°C. |
| solubility | Very slightly soluble in alcohol and oils. |
| form | powder to crystal |
| color | Light orange to Yellow to Green |
| Odor | Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine. |
| Water Solubility | It hydrolyzes with water. Soluble in toluene. |
| Sensitive | Moisture Sensitive |
| BRN | 640027 |
| InChI | 1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H |
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)N=C=S |
| CAS DataBase Reference | 2131-61-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-42 |
| Safety Statements | 22-26-36 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| F | 10-21 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
