m-(1-Cyanoethyl)benzoic acid
- Product Namem-(1-Cyanoethyl)benzoic acid
- CAS5537-71-3
- MFC10H9NO2
- MW175.18
- EINECS226-897-0
- MOL File5537-71-3.mol
Chemical Properties
| Melting point | 145-148 °C (lit.) |
| Boiling point | 355.8±25.0 °C(Predicted) |
| Density | 1.204±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.96±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) |
| InChIKey | IRYIYPWRXROPSX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C(C#N)C)=C1 |
| CAS DataBase Reference | 5537-71-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-41-43 |
| Safety Statements | 26-36/37/39-36/37/38 |
| WGK Germany | 3 |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Sens. 1 |
