4-(Trifluoromethyl)phenyl isothiocyanate
- Product Name4-(Trifluoromethyl)phenyl isothiocyanate
- CAS1645-65-4
- MFC8H4F3NS
- MW203.19
- EINECS
- MOL File1645-65-4.mol
Chemical Properties
| Melting point | 39-43 °C(lit.) |
| Boiling point | 81 °C11 mm Hg(lit.) |
| Density | 1.3395 (estimate) |
| Flash point | >230 °F |
| storage temp. | 2-8°C, stored under nitrogen |
| form | powder to lump |
| color | White to Light yellow |
| Sensitive | Moisture Sensitive |
| BRN | 2693553 |
| InChI | InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H |
| InChIKey | DQEVDFQAYLIBRD-UHFFFAOYSA-N |
| SMILES | C1(N=C=S)=CC=C(C(F)(F)F)C=C1 |
| CAS DataBase Reference | 1645-65-4(CAS DataBase Reference) |
| NIST Chemistry Reference | P-trifluoromethylphenylisothiocyanate(1645-65-4) |
Safety Information
| Hazard Codes | C,Xi,T,Xn |
| Risk Statements | 34-42-36/37/38-20/21/22 |
| Safety Statements | 26-36/37/39-45-22 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Resp. Sens. 1 Skin Corr. 1B |
