3-Nitrophenylacetonitrile
- Product Name3-Nitrophenylacetonitrile
- CAS621-50-1
- CBNumberCB4327666
- MFC8H6N2O2
- MW162.15
- EINECS210-689-1
- MDL NumberMFCD00041249
- MOL File621-50-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 60-62 °C(lit.) |
| Boiling point | 180 °C3 mm Hg(lit.) |
| Density | 1.3264 (rough estimate) |
| refractive index | 1.5770 (estimate) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform, Ethyl Acetate |
| form | Solid |
| color | Pale Yellow to Light Brown |
| InChI | 1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2 |
| InChIKey | WAVKEPUFQMUGBP-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(CC#N)c1 |
| CAS DataBase Reference | 621-50-1(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | AM1247000 |
| HazardClass | IRRITANT-HARMFUL |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
