5537-71-3
| Name | m-(1-Cyanoethyl)benzoic acid |
| CAS | 5537-71-3 |
| EINECS(EC#) | 226-897-0 |
| Molecular Formula | C10H9NO2 |
| MDL Number | MFCD00002520 |
| Molecular Weight | 175.18 |
| MOL File | 5537-71-3.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) |
| form | Solid |
| pka | 3.96±0.10(Predicted) |
| 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 Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H317-H318 |
| Precautionary statements | P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Sens. 1 |