3-(Trifluoromethyl)phenol

Basic Information

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CAS Number

98-17-9

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

Melting Point

−2-−1.8 °C

Boiling Point

178°C

Density

1.333 g/mL at 25 °C

Refractive Index

n20/D 1.458(lit.)

Vapor Pressure

0.56 mmHg ( 40 °C)

SMILES

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C1=CC(=CC(=C1)O)C(F)(F)F

InChI

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

InChIKey

UGEJOEBBMPOJMT-UHFFFAOYSA-N

LogP

2.4110000000000005

pKa

8.68(at 25℃)

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

132

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

EN300-20070
Phenol, 3-(trifluoromethyl)-
3-(Trifluoromethyl)phenol, 99%
alpha, alpha, alpha-trifluoro-m-cresol
MFCD00002299
3-trifluoromethylplienol
PS-8757
AM20050022
3-trifluoromethyl phenol
m-(Trifluoromethyl)phenol
meta-trifluoromethyl phenol
m-Hydroxybenzotrifluoride
m-trifluoromethylphenol
3-hydroxy benzotrifluoride
98-17-9
EC 202-645-5
3-Hydroxybenzotrifluoride
3-(1,1,1-trifluoromethyl)phenol
D70669
meta-trifluoromethylphenol
m-CF3C6H4OH
5-TRIFLUOROMETHYLPHENOL
3-hydroxy-benzotrifluoride
CHEMBL57877
m-trifluoromethyl-phenol
AC-10892
T0436
Z104476676
NSC-9884
W-100090
M‐trifluoromethylphenol (Hit 5)

MDL Number

MFCD00002299

Customs Code

2908199090

FAQ

What is 3-(Trifluoromethyl)phenol (CAS: 98-17-9)?

3-(Trifluoromethyl)phenol, with CAS number 98-17-9, is a chemical compound that contains a phenol ring substituted with a trifluoromethyl group at the 3-position. It is a yellow crystalline solid with a molecular formula of C7H5F3O and exhibits aromatic properties. This compound is known for its stability and is commonly used in various chemical applications due to its unique electronic characteristics.

What are the main uses of 3-(Trifluoromethyl)phenol (CAS: 98-17-9)?

3-(Trifluoromethyl)phenol (CAS: 98-17-9) is primarily used in pharmaceuticals as an intermediate for drug development. It also finds applications in industrial chemistry, particularly in the synthesis of agrochemicals and dyes. Additionally, it is utilized in research for its reactivity and is sometimes used in the production of specialty chemicals and materials.

Is 3-(Trifluoromethyl)phenol (CAS: 98-17-9) safe?

3-(Trifluoromethyl)phenol (CAS: 98-17-9) is considered hazardous and should be handled with care. It may cause irritation to the skin, eyes, and respiratory system. Safety standards recommend protective measures such as gloves, goggles, and proper ventilation. It is important to follow local regulations and use appropriate PPE to ensure safe handling and minimize health risks.

How should 3-(Trifluoromethyl)phenol (CAS: 98-17-9) be stored?

3-(Trifluoromethyl)phenol (CAS: 98-17-9) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is typically kept in a sealed container made of glass or polyethylene to prevent contamination. Storage conditions should maintain a temperature below 25°C and avoid exposure to air to ensure stability and prolong shelf life.