3-Cyanophenylacetic acid
- Product Name3-Cyanophenylacetic acid
- CAS1878-71-3
- MFC9H7NO2
- MW161.16
- EINECS
- MOL File1878-71-3.mol
Chemical Properties
| Melting point | 113-117 °C(lit.) |
| Boiling point | 342.1±17.0 °C(Predicted) |
| Density | 1.26±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Powder or Crystalline Powder |
| pka | 4.08±0.10(Predicted) |
| color | White to brown |
| InChI | InChI=1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | ZNXMNKGBHYVNNE-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC(C#N)=C1 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-43 |
| Safety Statements | 36/37 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
