4-Amino-2-(trifluoromethyl)benzonitrile
- Product Name4-Amino-2-(trifluoromethyl)benzonitrile
- CAS654-70-6
- MFC8H5F3N2
- MW186.13
- EINECS000-000-0
- MOL File654-70-6.mol
Chemical Properties
| Melting point | 141-145 °C(lit.) |
| Boiling point | 294.5±40.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| pka | 0.50±0.10(Predicted) |
| form | Powder |
| color | White to off-white |
| BRN | 3278074 |
| InChI | InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2 |
| InChIKey | PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N)C=C1C(F)(F)F |
| CAS DataBase Reference | 654-70-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Amino-2-cyanobenzotrifluoride(654-70-6) |
Safety Information
| Hazard Codes | Xn,T |
| Risk Statements | 22-43-36/37/38-20/21/22 |
| Safety Statements | 36-45-37/39-26 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Toxic |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29049090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
