4-Trifluoromethylphenol
- CAS No.
- 402-45-9
- Chemical Name:
- 4-Trifluoromethylphenol
- Synonyms
- 4-(TRIFLUOROMETHYL)PHENOL;TFMPO;P-Trifluoromethyl;TRIFLUORO-PARA-CRESOL;Fluoxetine Impurity 4;Trifluoromethylphenol;4-HYDROXYBENZOTRIFLUORI;4-trifluorotoluolphenol;p-TrifluoroMethylphenyl;Fluoxetine EP Impurity D
- CBNumber:
- CB6371577
- Molecular Formula:
- C7H5F3O
- Molecular Weight:
- 162.11
- MDL Number:
- MFCD00002363
- MOL File:
- 402-45-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
| 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) |
| FDA UNII | G8PMO13PO4 |
| NIST Chemistry Reference | p-Hydroxybenzotrifluoride(402-45-9) |
| EPA Substance Registry System | 4-(Trifluoromethyl)phenol (402-45-9) |
| UNSPSC Code | 12352104 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| 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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves | |||||||||
| 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 |
|||||||||
| NFPA 704 |
|
4-Trifluoromethylphenol price More Price(59)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.41244 | 4-Hydroxybenzotrifluoride for synthesis | 402-45-9 | 1g | $58 | 2026-04-30 | Buy |
| Sigma-Aldrich | 178470 | 4-(Trifluoromethyl)phenol 97% | 402-45-9 | 1g | $60.1 | 2026-04-30 | Buy |
| Sigma-Aldrich | 8.41244 | 4-Hydroxybenzotrifluoride for synthesis | 402-45-9 | 5G | $235 | 2026-04-30 | Buy |
| Sigma-Aldrich | 178470 | 4-(Trifluoromethyl)phenol 97% | 402-45-9 | 5g | $136 | 2026-04-30 | Buy |
| TCI Chemical | H0644 | 4-Hydroxybenzotrifluoride >98.0%(GC)(T) | 402-45-9 | 5g | $79 | 2026-04-30 | Buy |
4-Trifluoromethylphenol Chemical Properties, Uses, Production
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
Raw materials
Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hubei Innerse Biotechnology Co., Ltd. | 88189299 18186187538 | 2479490947@qq.com | China | 106 | 58 |
| Henan Aosman Biotechnology Co., LTD | 13761588971 17719817155 | 2366079749@qq.com | China | 3008 | 58 |
| CHEMBSF (Shanghai) Biomedical Technology Co., Ltd | 60662071 18117346937 | 18117346937@163.com | China | 4932 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
View Latest Price from 4-Trifluoromethylphenol manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-30 | 4-(Trifluoromethyl)phenol
402-45-9
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-06-30 | 4-Trifluoromethylphenol
402-45-9
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-05-11 | 4-(Trifluoromethyl)phenol
402-45-9
|
$36.00-76.00 | 10g | TargetMol Chemicals Inc. |
-
- 4-(Trifluoromethyl)phenol
402-45-9
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- 4-Trifluoromethylphenol
402-45-9
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- 4-(Trifluoromethyl)phenol
402-45-9
- $36.00-76.00
- TargetMol Chemicals Inc.
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