4-(Trifluoromethoxy)phenol

Basic Information

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CAS Number

828-27-3

Molecular Formula

C7H5F3O2

Molecular Weight

178.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

18-19°C

Boiling Point

95°C/25mmHg

Density

1.375 g/mL at 25 °C

Refractive Index

n20/D 1.447(lit.)

SMILES

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C1=CC(=CC=C1O)OC(F)(F)F

InChI

InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H

InChIKey

WDRJNKMAZMEYOF-UHFFFAOYSA-N

LogP

2.2908

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

138

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class Comb liq Class Comb liq

Synonyms & References

English

CHEMBL2326881
CS-W003970
p-Trifluoromethoxy phenol
W-104158
MLCUUJQEMZNLPZ-UHFFFAOYSA-N
828-27-3
4-(trifluoromethyloxy)-phenol
4-trifluoromethoxy phenol
MHTVTJKQAYXOIM-UHFFFAOYSA-N
MFCD00040988
4-trifluoromethoxy-phenol
T1341
BDBM50490492
EN300-91578
4-trifluoro methoxyphenol
BCP31185
AKOS005254971
SCHEMBL221511
4-Trifluoromethoxyphenol
PS-8563
AC-13072
NS00042485
4-Hydroxyphenyl Trifluoromethyl Ether
4-(trifluoromethoxy)-phenol
R-2-PHENYL-THIAZOLIDINE-4-CARBOXYLICACID
AM20041217
p-(Trifluoromethoxy)phenol
EINECS 212-583-0
4-(Trifluoromethoxy)phenol, 98%
4-(Trifluoromethoxy)phenol
DTXSID60232002

MDL Number

MFCD00040988

Customs Code

29095090

FAQ

What is 4-(Trifluoromethoxy)phenol (CAS: 828-27-3)?

4-(Trifluoromethoxy)phenol, with the CAS number 828-27-3, is an organic compound containing a phenolic group substituted with a trifluoromethoxy group. It has the chemical formula C7H5F3O2 and is known for its aromatic structure and strong electron-withdrawing properties due to the trifluoromethoxy functional group. This compound is commonly used as an intermediate in organic synthesis and has applications in various chemical fields.

What are the main uses of 4-(Trifluoromethoxy)phenol (CAS: 828-27-3)?

4-(Trifluoromethoxy)phenol (CAS: 828-27-3) is primarily used in pharmaceutical research for the development of drug molecules. It serves as a building block in the synthesis of agrochemicals and specialty chemicals. Additionally, it finds application in materials science for creating functional polymers and in organic chemistry for various reaction studies involving electrophilic substitution and oxidation.

Is 4-(Trifluoromethoxy)phenol (CAS: 828-27-3) safe?

4-(Trifluoromethoxy)phenol (CAS: 828-27-3) should be handled with care due to its potential toxicity. It is considered harmful to the skin and eyes, and may cause irritation. Protective measures such as gloves, goggles, and proper ventilation are recommended. Safety data sheets (SDS) should be consulted for full compliance with handling and disposal guidelines.

How should 4-(Trifluoromethoxy)phenol (CAS: 828-27-3) be stored?

4-(Trifluoromethoxy)phenol (CAS: 828-27-3) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container made of glass or inert material to prevent contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.