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: 2024-10-23 13:36:13

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.