4-Nitrobenzotrifluoride
- Product Name4-Nitrobenzotrifluoride
- CAS402-54-0
- MFC7H4F3NO2
- MW191.11
- EINECS206-948-3
- MOL File402-54-0.mol
Chemical Properties
| Melting point | 38-40 °C (lit.) |
| Boiling point | 81-83 °C/10 mmHg (lit.) |
| Density | 1.3910 (estimate) |
| Flash point | 191 °F |
| solubility | soluble in Methanol |
| form | Crystalline Powder, Crystals or Crystalline Mass |
| color | White to yellow |
| Exposure limits | ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents. |
| InChI | 1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H |
| InChIKey | XKYLCLMYQDFGKO-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 402-54-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Nitro-alpha,alpha,alpha-trifluorotoluene(402-54-0) |
| EPA Substance Registry System | Benzene, 1-nitro-4-(trifluoromethyl)- (402-54-0) |
Safety Information
| Hazard Codes | T+,T,Xi |
| Risk Statements | 22-26-36/37/38-21/22 |
| Safety Statements | 26-28-36/37-45-36/37/39-28A |
| RIDADR | UN 3431 6.1/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Toxic/Irritant |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29049090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
