4-Trifluoromethylphenol
Synonym(s):α,α,α-Trifluoro-p-cresol;α,α,α-Trifluoro-p-cresol, 4-Trifluoromethylphenol;4-Hydroxybenzotrifluoride
- CAS NO.：402-45-9
- Empirical Formula: C7H5F3O
- Molecular Weight: 162.11
- MDL number: MFCD00002363
- EINECS: 206-945-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-24 22:20:23
What is 4-Trifluoromethylphenol?
Chemical properties
White to yellowish-brown crystals
The Uses of 4-Trifluoromethylphenol
Intermediates of Liquid Crystals
The Uses of 4-Trifluoromethylphenol
4-(Trifluoromethyl)phenol (4-hydroxybenzotrifluoride) was used in the synthesis of diaryl ether.
What are the applications of Application
4-(Trifluoromethyl)phenol is a synthesis reagent used for diaryl ether
Definition
ChEBI: 4-(trifluoromethyl)phenol is a member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of phenols and a member of (trifluoromethyl)benzenes. It is functionally related to a (trifluoromethyl)benzene and a p-cresol.
Synthesis Reference(s)
The Journal of Organic Chemistry, 54, p. 2873, 1989 DOI: 10.1021/jo00273a020
General Description
4-(Trifluoromethyl)phenol molecule, bound at the active site of H61T (His-61→Thr) mutant, shows strong density.
Properties of 4-Trifluoromethylphenol
| Melting point: | 45-47 °C(lit.) |
| Boiling point: | 71.5-72 °C (8 mmHg) |
| Density | 1.3226 (estimate) |
| Flash point: | 183 °F |
| storage temp. | Store at <= 20°C. |
| Water Solubility | Insoluble in water |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Crystals |
| pka | pK1:8.675 (25°C) |
| color | White to yellow-brown |
| BRN | 1637019 |
| Stability: | Light Sensitive |
| CAS DataBase Reference | 402-45-9(CAS DataBase Reference) |
| NIST Chemistry Reference | p-Hydroxybenzotrifluoride(402-45-9) |
| EPA Substance Registry System | 4-(Trifluoromethyl)phenol (402-45-9) |
Safety information for 4-Trifluoromethylphenol
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H228:Flammable solids H301:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Trifluoromethylphenol
| InChIKey | BAYGVMXZJBFEMB-UHFFFAOYSA-N |
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