4-Nitrophenyl isocyanate
- Product Name4-Nitrophenyl isocyanate
- CAS100-28-7
- MFC7H4N2O3
- MW164.12
- EINECS202-836-3
- MOL File100-28-7.mol
Chemical Properties
| Melting point | 56-59 °C(lit.) |
| Boiling point | 137-138 °C11 mm Hg(lit.) |
| Density | 1.5018 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| Flash point | >110°C |
| storage temp. | 2-8°C |
| solubility | soluble in Benzene,Toluene |
| form | Crystalline Solid |
| color | Yellow |
| Water Solubility | Insoluble in water. |
| Sensitive | Moisture Sensitive |
| BRN | 389516 |
| InChI | 1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H |
| InChIKey | GFNKTLQTQSALEJ-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)N=C=O |
| CAS DataBase Reference | 100-28-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-isocyanato-4-nitro-(100-28-7) |
| EPA Substance Registry System | p-Nitrophenyl isocyanate (100-28-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38-42 |
| Safety Statements | 22-26-36/37/39-45 |
| RIDADR | 2206 |
| WGK Germany | 3 |
| RTECS | DA3692500 |
| F | 10-19-21 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29291090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
| Toxicity | LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342 |