4-CHLORO-3,5-DINITROBENZONITRILE
- Product Name4-CHLORO-3,5-DINITROBENZONITRILE
- CAS1930-72-9
- MFC7H2ClN3O4
- MW227.56
- EINECS217-686-4
- MOL File1930-72-9.mol
Chemical Properties
| Melting point | 140.5-141 °C (lit.) |
| Boiling point | 326.3±42.0 °C(Predicted) |
| Density | 2.0705 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Hygroscopic, Refrigerator, under inert atmosphere |
| solubility | Chloroform (Slightly), DMSO |
| form | Solid |
| color | Light Yellow to Yellow |
| Water Solubility | Insoluble in water. |
| BRN | 1990451 |
| Stability | Unstable in Solution |
| InChI | 1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H |
| InChIKey | SCGDEDHSPCXGEC-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C#N |
| CAS DataBase Reference | 1930-72-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| RTECS | DI2990000 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986. |