4-Nitrophenylacetic acid
- Product Name4-Nitrophenylacetic acid
- CAS104-03-0
- MFC8H7NO4
- MW181.15
- EINECS203-168-5
- MOL File104-03-0.mol
Chemical Properties
| Melting point | 150-155 °C(lit.) |
| Boiling point | 314.24°C (rough estimate) |
| Density | 1.4283 (rough estimate) |
| refractive index | 1.5468 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 3.85(at 25℃) |
| color | Beige to yellow |
| PH | 2.98 at 22.8℃ and 10g/L |
| Water Solubility | slightly soluble |
| Merck | 14,6621 |
| BRN | 1911801 |
| InChI | 1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(cc1)[N+]([O-])=O |
| LogP | 0.3 at 30℃ and pH7.72 |
| CAS DataBase Reference | 104-03-0(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Nitrophenylacetic acid (104-03-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| RTECS | AJ1130010 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 |
| Toxicity | dnr-bcs 500 mg/disc MUREAV170,11,86 |
