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4-Trifluoromethylphenol

CAS No.
402-45-9
Chemical Name:
4-Trifluoromethylphenol
Synonyms
4-(TRIFLUOROMETHYL)PHENOL;TFMPO;P-Trifluoromethyl;TRIFLUORO-PARA-CRESOL;Fluoxetine Impurity 4;4-HYDROXYBENZOTRIFLUORI;4-trifluorotoluolphenol;p-TrifluoroMethylphenyl;α,α,α-Trifluoro-p-cresol;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
Last updated:2023-11-02 15:05:42

4-Trifluoromethylphenol Properties

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
InChIKey BAYGVMXZJBFEMB-UHFFFAOYSA-N
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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
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  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 
HS Code  29081000
NFPA 704
2
2 3

4-Trifluoromethylphenol price More Price(28)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.41244 4-Hydroxybenzotrifluoride for synthesis 402-45-9 1g $53.1 2024-03-01 Buy
Sigma-Aldrich 178470 4-(Trifluoromethyl)phenol 97% 402-45-9 1g $54.8 2024-03-01 Buy
Sigma-Aldrich 8.41244 4-Hydroxybenzotrifluoride for synthesis 402-45-9 5G $215 2024-03-01 Buy
Sigma-Aldrich 178470 4-(Trifluoromethyl)phenol 97% 402-45-9 5g $124 2024-03-01 Buy
TCI Chemical H0644 4-Hydroxybenzotrifluoride >98.0%(GC)(T) 402-45-9 5g $79 2024-03-01 Buy
Product number Packaging Price Buy
8.41244 1g $53.1 Buy
178470 1g $54.8 Buy
8.41244 5G $215 Buy
178470 5g $124 Buy
H0644 5g $79 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.

98-56-6
402-45-9
Synthesis of 4-Trifluoromethylphenol from 4-Chlorobenzotrifluoride
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View Lastest Price from 4-Trifluoromethylphenol manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Trifluoromethylphenol pictures 2023-11-02 4-Trifluoromethylphenol
402-45-9
US $0.00-0.00 / kg 1kg 99% 50000kg Hebei Kingfiner Technology Development Co.Ltd
4-(Trifluoromethyl)phenol pictures 2022-02-21 4-(Trifluoromethyl)phenol
402-45-9
US $0.00 / KG 1KG 99.4% 100 tons Honest Joy Holdings Limited
4-Trifluoromethylphenol pictures 2019-07-06 4-Trifluoromethylphenol
402-45-9
US $100.00 / KG 1KG 99% Customized Career Henan Chemical Co
alpha,alpha,alpha-Trifluoro-p-cresol,loosecrystals Phenol, 4-(trifluoromethyl)- P-HYDROXYBENZOTRIFLUORIDE P-(TRIFLUOROMETHYL)PHENOL ALPHA,ALPHA,ALPHA-TRIFLUORO-4-CRESOL ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL 4-HYDROXYBENZOTRIFLUORIDE 4-HYDROXY-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE 4-Hydroxy-α,α,α-trifluorotoluene α,α,α-Trifluoro-p-cresol 4-Hydroxybenxotrifluoride ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL, 99 % 4-HydroxytrifluoromethylBenzene 4-Hydroxybenzotrifluoride,98% 4-Hydroxybenzotrifluoride99% 4-Hydroxybenzotrifluoride 99% TRIFLUORO-PARA-CRESOL 4/p-Trifluoromethylaniline α,α,α-Trifluoro-p-cresol, 4-Hydroxybenzotrifluoride TFMPO alpha,alpha,alpha-Trifluoro-p-cresol,98% 4-HYDROXYBENZOTRIFLUORI 4-(Trifluoromethyl)phenol ,98% 4-trifluorotoluolphenol alpha,alpha,alpha-Trifluoro-p-cresol, 98% 1GR alpha,alpha,alpha-Trifluoro-p-cresol, 98% 5GR 4-Hydroxy-alpha,alpha,alpha-trifluorotoluene alpha,alpha,alpha-Trifluoro-p-cresol 4-(Trifluoromethyl)phenol p-TrifluoroMethylphenyl 4-(TrifluoroMethyl)phenol 97% 4-(TrifluoroMethyl)phenol, 97+% α,α,α-Trifluoro-p-cresol 4-Hydroxybenzotrifluoride 4-Hydroxy-α,α,α-trifluorotoluene p-Hydroxybenzotrifluoride p-Trifluoromethylphenol 4-Hydroxybenzotrifluoride for synthesis Fluoxetine EP Impurity D Fluoxetine Hydrochloride Impurity Ⅱ:4-Trifluoromethylphenol P-Trifluoromethyl Fluoxetine Impurity 4 Fluoxetine Impurity 4(EP-D) 4-Hydroxybenzotrifluoride> 4-Hydroxybenzotrifluoride (alpha-Trifluoro p-Cresol Fluoxetine Hydrochloride Impurity Ⅱ:4-Trifluoromethylphenol ?,?,?-trifluoro-p-cresol 4-(TRIFLUOROMETHYL)PHENOL Fluoxetine Impurity 4(Fluoxetine EP Impurity D) 402-45-9 402-56-9 C7H5F3O Building Blocks Oxygen Compounds Phenols Organic Building Blocks Fluorochemicals Trifluoromethylbenzene serise Aromatic Phenols Phenol&Thiophenol&Mercaptan bc0001