402-45-9
| Name | 4-Trifluoromethylphenol |
| CAS | 402-45-9 |
| EINECS(EC#) | 206-945-7 |
| Molecular Formula | C7H5F3O |
| MDL Number | MFCD00002363 |
| Molecular Weight | 162.11 |
| MOL File | 402-45-9.mol |
Chemical Properties
| Appearance | White to yellowish-brown crystals |
| Melting point | 45-47 °C(lit.) |
| Boiling point | 71.5-72 °C (8 mmHg) |
| density | 1.3226 (estimate) |
| Fp | 183 °F |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Water Solubility | Insoluble in water |
| form | Crystals |
| pka | pK1:8.675 (25°C) |
| color | White to yellow-brown |
| Usage | Intermediates of Liquid Crystals |
| Detection Methods | HPLC |
| BRN | 1637019 |
| Stability: | Light Sensitive |
| InChI | 1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H |
| InChIKey | BAYGVMXZJBFEMB-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 402-45-9(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |    GHS02,GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H228-H301-H315-H318-H335 |
| Precautionary statements | P210-P240-P280-P301+P310-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2926 4.1/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Keep Cold |
| PackingGroup | Ⅱ |
| HS Code | 29081000 |
| Storage Class | 4.1B - Flammable solid hazardous materials |
| Hazard Classifications | Acute Tox. 3 Oral Eye Dam. 1 Flam. Sol. 1 Skin Irrit. 2 STOT SE 3 |