Methyl 3-cyanobenzoate
- Product NameMethyl 3-cyanobenzoate
- CAS13531-48-1
- MFC9H7NO2
- MW161.16
- EINECS620-003-6
- MOL File13531-48-1.mol
Chemical Properties
| Melting point | 58 °C |
| Boiling point | 267.2±23.0 °C(Predicted) |
| Density | 1.18±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3 |
| InChIKey | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC(C#N)=C1 |
| LogP | 1.82 |
| CAS DataBase Reference | 13531-48-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-CN-C6H4-COOCH3(13531-48-1) |
| EPA Substance Registry System | Benzoic acid, 3-cyano-, methyl ester (13531-48-1) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 22-26-36/37/39 |
| RIDADR | UN3439 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HS Code | 2916399090 |
