89-87-2
| Name | 4-Nitro-1,3-dimethylbenzene |
| CAS | 89-87-2 |
| EINECS(EC#) | 201-947-4 |
| Molecular Formula | C8H9NO2 |
| MDL Number | MFCD00007169 |
| Molecular Weight | 151.16 |
| MOL File | 89-87-2.mol |
Chemical Properties
| Appearance | yellow to amber or deep yellow-green liquid |
| Melting point | 7-9 °C(lit.) |
| Boiling point | 244 °C(lit.) |
| density | 1.117 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 225 °F |
| storage temp. | Store below +30°C. |
| form | Liquid |
| color | Clear yellow |
| Stability: | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Water Solubility | 133 mg/L (20 ºC) |
| BRN | 1865656 |
| Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3 |
| InChIKey | BBUPBICWUURTNP-UHFFFAOYSA-N |
| SMILES | Cc1ccc(c(C)c1)[N+]([O-])=O |
| CAS DataBase Reference | 89-87-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 2,4-dimethyl-1-nitro-(89-87-2) |
| EPA Substance Registry System | 89-87-2(EPA Substance) |
Safety Data
| Hazard Codes | Xn,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1665 6.1/PG 2 |
| WGK Germany | 2 |
| TSCA | Yes |
| REACH Registrations | Inactive |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29042000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 |