121-03-9
| Name | 2-Methyl-5-nitrobenzenesulfonic acid |
| CAS | 121-03-9 |
| EINECS(EC#) | 204-445-3 |
| Molecular Formula | C7H7NO5S |
| MDL Number | MFCD00024914 |
| Molecular Weight | 217.2 |
| MOL File | 121-03-9.mol |
Chemical Properties
| Melting point | 135°C |
| Boiling point | 500°C (rough estimate) |
| density | 1.6040 (rough estimate) |
| vapor pressure | 0Pa at 20℃ |
| refractive index | 1.6100 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Methanol (Slightly), Water (Slightly) |
| form | Solid |
| pka | -1.14±0.33(Predicted) |
| color | Very Dark Brown |
| Water Solubility | 667g/L at 23℃ |
| InChI | InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13) |
| InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C |
| CAS DataBase Reference | 121-03-9(CAS DataBase Reference) |
| EPA Substance Registry System | 121-03-9(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314-H412-H290 |
| Precautionary statements | P501-P273-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3261 |
| RTECS | DB7175000 |
| TSCA | TSCA listed |
| HS Code | 2904.99.4700 |
| REACH Registrations | Active |
| HazardClass | 8 |
| PackingGroup | III |
| Hazardous Substances Data | 121-03-9(Hazardous Substances Data) |
| Toxicity |