2-Nitrocinnamic acid
- Product Name2-Nitrocinnamic acid
- CAS612-41-9
- MFC9H7NO4
- MW193.16
- EINECS210-309-4
- MOL File612-41-9.mol
Chemical Properties
| Melting point | 243-245 °C(lit.) |
| Boiling point | 329.36°C (rough estimate) |
| Density | 1.4058 (rough estimate) |
| refractive index | 1.5200 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | crystals |
| pka | pK1:4.15 (25°C) |
| Appearance | Light yellow to yellow Solid |
| Water Solubility | insoluble |
| BRN | 2211209 |
| InChI | 1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+ |
| InChIKey | BBQDLDVSEDAYAA-AATRIKPKSA-N |
| SMILES | OC(=O)\C=C\c1ccccc1[N+]([O-])=O |
| CAS DataBase Reference | 612-41-9(CAS DataBase Reference) |
| NIST Chemistry Reference | trans-2-Nitrocinnamic acid(612-41-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| RTECS | UD3642850 |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | mouse,LD,intraperitoneal,> 350mg/kg (350mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: REGIDITYBEHAVIORAL: ATAXIA,Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 77, 1987. |
