Preparation method Chemical Characteristics Uses
ChemicalBook > CAS DataBase List > 4-Trifluoromethylphenol

4-Trifluoromethylphenol

Preparation method Chemical Characteristics Uses
Product Name
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;Fluoxetine EP Impurity D;α,α,α-Trifluoro-p-cresol
CBNumber
CB6371577
Molecular Formula
C7H5F3O
Formula Weight
162.11
MOL File
402-45-9.mol
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4-Trifluoromethylphenol Property

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)
NIST Chemistry Reference
p-Hydroxybenzotrifluoride(402-45-9)
EPA Substance Registry System
4-(Trifluoromethyl)phenol (402-45-9)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H228Flammable solid

H301Toxic if swalloed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P240Ground/bond container and receiving equipment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.41244
Product name
4-Hydroxybenzotrifluoride
Purity
for synthesis
Packaging
1g
Price
$53.1
Updated
2024/03/01
Sigma-Aldrich
Product number
178470
Product name
4-(Trifluoromethyl)phenol
Purity
97%
Packaging
1g
Price
$54.8
Updated
2024/03/01
Sigma-Aldrich
Product number
8.41244
Product name
4-Hydroxybenzotrifluoride
Purity
for synthesis
Packaging
5G
Price
$215
Updated
2024/03/01
Sigma-Aldrich
Product number
178470
Product name
4-(Trifluoromethyl)phenol
Purity
97%
Packaging
5g
Price
$124
Updated
2024/03/01
TCI Chemical
Product number
H0644
Product name
4-Hydroxybenzotrifluoride
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$79
Updated
2024/03/01
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4-Trifluoromethylphenol Chemical Properties,Usage,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.

4-Trifluoromethylphenol Preparation Products And Raw materials

Raw materials

Preparation Products

4-(TRIFLUOROMETHYL)PHENOXYACETIC ACID
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View Lastest Price from 4-Trifluoromethylphenol manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
4-Trifluoromethylphenol 402-45-9
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98.0%
Supply Ability
10000KGS
Release date
2024-11-09
Hebei Kingfiner Technology Development Co.Ltd
Product
4-Trifluoromethylphenol 402-45-9
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
50000kg
Release date
2024-06-24
Honest Joy Holdings Limited
Product
4-(Trifluoromethyl)phenol 402-45-9
Price
US $0.00/KG
Min. Order
1KG
Purity
99.4%
Supply Ability
100 tons
Release date
2022-02-20

402-45-9, 4-TrifluoromethylphenolRelated Search:

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

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  • α,α,α-Trifluoro-p-cresol 4-Hydroxybenzotrifluoride 4-Hydroxy-α,α,α-trifluorotoluene p-Hydroxybenzotrifluoride p-Trifluoromethylphenol
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