4-Chloro-3-nitrobenzotrifluoride
- Product Name4-Chloro-3-nitrobenzotrifluoride
- CAS121-17-5
- MFC7H3ClF3NO2
- MW225.55
- EINECS204-451-6
- MOL File121-17-5.mol
Chemical Properties
| Melting point | -2 °C |
| Boiling point | 222 °C(lit.) |
| Density | 1.511 g/mL at 25 °C(lit.) |
| vapor pressure | 10Pa at 25℃ |
| refractive index | n |
| Flash point | 215 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform, Methanol (Slightly) |
| form | Liquid |
| color | Clear yellow |
| Water Solubility | Insoluble |
| BRN | 523986 |
| Henry's Law Constant | 7.2×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F |
| LogP | 3.42 |
| CAS DataBase Reference | 121-17-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,T,Xi |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 2307 |
| WGK Germany | 2 |
| RTECS | XS9140000 |
| Hazard Note | Toxic |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29049085 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 121-17-5(Hazardous Substances Data) |