- 4-Trifluoromethylphenol
-
- $0.00 / 25KG
-
2025-12-01
- CAS:402-45-9
- Min. Order: 1KG
- Purity: 98.0%
- Supply Ability: 10000KGS
|
| | 4-Trifluoromethylphenol Chemical Properties |
| Melting point | 45-47 °C(lit.) | | Boiling point | 71.5-72 °C (8 mmHg) | | density | 1.3226 (estimate) | | Fp | 183 °F | | storage temp. | Store at <= 20°C. | | Water Solubility | Insoluble in water | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | pka | pK1:8.675 (25°C) | | form | Crystals | | color | White to yellow-brown | | 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) | | NIST Chemistry Reference | p-Hydroxybenzotrifluoride(402-45-9) | | EPA Substance Registry System | 4-(Trifluoromethyl)phenol (402-45-9) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-37/38-41-36/37/38 | | Safety Statements | 26-39-24/25 | | 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 |
| | 4-Trifluoromethylphenol Usage And Synthesis |
| Preparation method | Chlorosilane and bromotrifluoromethane at-59℃form trifluoromethylsilane. Trifluoromethylsilane and benzoquinone in the presence of catalyst form 4-triethylsiloxy-4-trifluoromethyl-2,5-cyclohexadien-1-ketone which is reduced by zinc powder to p-trifluoromethylphenol with a yield of 71%. This method avoids the use of hydrofluoric acid in the traditional process but should be carried out under anhydrous conditions.If there were water trifluoromethyl silane would rapidly become silanol under the effect of water and alkali. The catalyst used in the reaction is alkali of which the strength has nothing to do with the catalytic activity. By now the role of catalyst is still unknown but the reaction can not proceed without catalyst. | | Chemical Characteristics | Off-white crystal | | Uses | For intermediate of medicine and pesticide. | | Chemical Properties | White to yellowish-brown crystals | | Uses | 4-(Trifluoromethyl)phenol (4-hydroxybenzotrifluoride) was used in the synthesis of diaryl ether. | | Uses | Intermediates of Liquid Crystals | | 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. | | Synthesis | Step 1: Pretreatment of strongly acidic cation exchange resin: put 10g of resin into a 1000mL beaker, soak and rinse the resin (macroporous strongly acidic styrene-based cation exchange resin, or strongly acidic 732 cation resin) with water, place it in an exchange column and soak the resin in hydrochloric acid with a concentration of 4-5% by mass for 2-4 hours, and then drain off the hydrochloric acid solution, and then rinse it to neutrality with clean water. The resin is then soaked in hydrochloric acid solution at a concentration of 4 to 4% by mass for 2 to 4 hours, then drained of the hydrochloric acid solution, and finally drenched with clean water until neutral.
Step 2: In a 100 mL three-necked flask, add 0.1 mol (16.1 g) of p-trifluoromethylaniline and 16.1 g of macroporous strongly acidic styrene-based cation exchange resin in turn, and then drop in a pre-configured aqueous sodium nitrite solution (0.1 mol, 6.9 g of sodium nitrite dissolved in 6 mL of deionized water) with stirring, and then mix and stir for 2 hours at 0 ??, and then carry out diazotization. After the reaction is completed, the mixture is filtered through 80-100 mesh sieve to separate the strongly acidic cation exchange resin; the filtrate is warmed to 95-100 ?? and hydrolyzed directly for 1 hour; after hydrolysis is completed, the water is removed by atmospheric distillation, and the fraction is collected at 71-72 ?? by reduced-pressure distillation (8 mmHg) to obtain the corresponding target product of p-(trifluoromethyl)phenol, with a yield of 90%; the separated cation The separated cation exchange resin needs to be regenerated and used, in the exchange column with a mass percentage concentration of 8% hydrochloric acid solution soaked for 2 hours, exhaust the hydrochloric acid solution, and finally washed with deionized water to pH = 4.5-6.5 can be recycled, according to the material ratio of the previous batch of material feeding for the next batch of synthesis reaction. |
| | 4-Trifluoromethylphenol Preparation Products And Raw materials |
|