4-Trifluoromethylphenol Chemical 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)

form 

Crystals

pka

pK1:8.675 (25°C)

color 

White to yellow-brown

BRN 

1637019

Stability:

Light Sensitive

InChIKey

BAYGVMXZJBFEMB-UHFFFAOYSA-N

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

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

MSDS

• Language:English Provider:alpha,alpha,alpha-Trifluoro-p-cresol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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.

4-Trifluoromethylphenol(402-45-9)Related Product Information

• 4-Trifluoromethylphenylboronic acid
• p-Cresol
• alpha,alpha,alpha-Trifluoro-o-toluoyl chloride
• 2-(Trifluoromethyl)benzoic acid
• Diethylstilbestrol
• Xylenol
• o-Cresol
• 4-(Trifluoromethyl)cinnamic acid
• 4-(Trifluoromethyl)benzene-1-sulfonyl chloride
• Trifluoromethanesulfonic acid
• Cresol
• 4'-(Trifluoromethyl)acetophenone
• 3-Chloro-4-hydroxybenzotrifluoride
• Trifluoro-p-tolunitrile
• 3-Trifluoromethylphenol
• p-Trifluoromethoxy phenol
• 3-(Trifluoromethyl)benzaldehyde
• 4-Fluorophenol