
400-98-6
| Name | 4-Amino-3-nitrobenzotrifluoride |
| CAS | 400-98-6 |
| EINECS(EC#) | 206-926-3 |
| Molecular Formula | C7H5F3N2O2 |
| MDL Number | MFCD00007155 |
| Molecular Weight | 206.12 |
| MOL File | 400-98-6.mol |
Chemical Properties
| Appearance | Whitetoyellowcrystalpowde |
| Melting point | 105-106 °C(lit.) |
| Boiling point | 265.6±40.0 °C(Predicted) |
| density | 1.4711 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in Methanol,Toluene |
| form | Crystals or Crystalline Powder |
| pka | -2.54±0.10(Predicted) |
| color | Yellow to golden |
| BRN | 650808 |
| InChI | InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 |
| InChIKey | ATXBGHLILIABGX-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O |
| CAS DataBase Reference | 400-98-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Aniline, 2-nitro-4-trifluoromethyl-(400-98-6) |
| EPA Substance Registry System | 400-98-6(EPA Substance) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN2811 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29214300 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |