3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
- Product Name3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
- CAS20850-49-1
- CBNumberCB8167774
- MFC13H17NO2
- MW219.28
- EINECS244-082-8
- MDL NumberMFCD00800230
- MOL File20850-49-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 46-49°C |
| Boiling point | 160-166 °C(Press: 6 Torr) |
| Density | 1.023±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Pale Yellow |
| Major Application | pharmaceutical |
| InChI | 1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3 |
| InChIKey | NFXAXMOAVPLEBH-UHFFFAOYSA-N |
| SMILES | N#CC(C(C)C)c1cc(c(cc1)OC)OC |
| CAS DataBase Reference | 20850-49-1(CAS DataBase Reference) |
| FDA UNII | 1Z42YUG42K |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P280-P304+P340-P305+P351+P338 |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
