4-(Trifluoromethyl)phenol

Basic Information

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CAS Number

402-45-9

Molecular Formula

C7H5F3O

Molecular Weight

162.11 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

45.0 to 49.0 deg-C

Boiling Point

78°C/13mmHg

Refractive Index

1.457

SMILES

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C1=CC(=CC=C1C(F)(F)F)O

InChI

InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChIKey

BAYGVMXZJBFEMB-UHFFFAOYSA-N

LogP

2.4110000000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

124

Safety Information

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GHS Hazard Pictograms

H228

H301

H315

H318

H335

Hazard Statement

H228 Flammable solid
Flammable solids

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class 4.1 Class 4.1

Class 6.1 Class 6.1

Synonyms & References

English

4-Hydroxybenzotrifluoride
73073-69-5
TRIFLUOROMETHYLPHENOL, P-
EINECS 206-945-7
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-CRESOL
p-(Trifluoromethyl)phenol radical cation
4-trifluromethyl-phenol
CCG-40536
A6731
Q27094528
Z56347220
a,a,a-Trifluoro-p-cresol
alpha,alpha,alpha-Trifluoro-p-cresol
4-(trifluoromethyl)phenyl alcohol
H0644
p-(trifluoromethyl)-phenol
W-106373
4-(trifluoromethyl)phenol;4-HYDROXYBENZOTRIFLUORIDE
4-(Trifluoromethyl)phenol
p-Hydroxybenzotrifluoride
4-(Trifluoromethyl)-phenol
CHEMBL539165
4-(Trifluoromethyl)phenol, 97%
AI3-26185
AS-8193
AC-2562
PD006771
FT-0600891
AKOS000121599
UNII-G8PMO13PO4
4-(trifluoromethyl) phenol

MDL Number

MFCD00002363

Customs Code

2907299090

FAQ

What is 4-(Trifluoromethyl)phenol (CAS: 402-45-9)?

4-(Trifluoromethyl)phenol, with the CAS number 402-45-9, is an aromatic compound containing a hydroxyl group and a trifluoromethyl group attached to a benzene ring. It has the chemical formula C7H5F3O and is known for its unique electronic properties due to the presence of fluorine atoms, which influence its reactivity and biological activity.

What are the main uses of 4-(Trifluoromethyl)phenol (CAS: 402-45-9)?

4-(Trifluoromethyl)phenol is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, agrochemicals, and as an intermediate in the production of dyes and other specialty chemicals. Its chemical structure makes it valuable in creating molecules with specific biological functions.

Is 4-(Trifluoromethyl)phenol (CAS: 402-45-9) safe?

4-(Trifluoromethyl)phenol is considered moderately toxic and should be handled with care. It may cause skin and eye irritation, and inhalation can be harmful. Proper protective equipment, including gloves and goggles, is recommended during handling. Safety data sheets (SDS) should be consulted for detailed guidelines and exposure limits.

How should 4-(Trifluoromethyl)phenol (CAS: 402-45-9) be stored?

4-(Trifluoromethyl)phenol 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 high-density polyethylene (HDPE) to prevent contamination and degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and safety.