2-(Trifluoromethyl)phenol

Basic Information

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CAS Number

444-30-4

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

44.0 to 47.0 deg-C

Boiling Point

149°C

Refractive Index

1.457

SMILES

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

InChI

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

InChIKey

ZOQOPXVJANRGJZ-UHFFFAOYSA-N

LogP

2.4110000000000005

pKa

8.95(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

H228

H302

H312

H315

H318

H332

H335

Hazard Statement

H228 Flammable solid
Flammable solids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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 4.1 Class 4.1

Stability

Stable. Flammable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides.

Synonyms & References

English

2-trifluoromethyl phenol
DTXSID0074849
2-triflouromethyl-phenol
Q63396553
o-Trifluoromethylphenol
EINECS 207-148-7
444-30-4
2-hydroxy-benzotrifluoride
2-trifluoromethyphenol
2-Hydroxy-alpha,alpha,alpha-trifluorotoluene
NSC 88333
2-hydroxy benzotrifluoride
AM20061173
NSC88333
o-(Trifluoromethoxy)phenol
CS-W016125
SCHEMBL69460
A7057
Z194636998
A,A,A-Trifluoro-o-cresol
.alpha.,.alpha.,.alpha.-Trifluoro-o-cresol
FT-0612586
Phenol, 2-(trifluoromethyl)-
AC-25575
2-Trifluoromethylphenol
alpha,alpha,alpha-trifluoro-cresol
MFCD00002222
2-tri-fluoromethylphenol
2-triflouromethylphenol
W-106195
alpha, alpha, alpha-trifluorocresol

MDL Number

MFCD00002222

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 2-(Trifluoromethyl)phenol (CAS: 444-30-4)?

2-(Trifluoromethyl)phenol (CAS: 444-30-4) is a crystalline solid with a molecular weight of approximately 188.14 g/mol. It has a high melting point of around 100-102°C and is slightly soluble in water. Chemically, it is known for its stability but can undergo electrophilic aromatic substitution reactions. It is often used in organic synthesis and has low volatility and low toxicity.

How is 2-(Trifluoromethyl)phenol (CAS: 444-30-4) typically synthesized?

2-(Trifluoromethyl)phenol (CAS: 444-30-4) can be synthesized via electrophilic aromatic substitution of 2-chloro-3,4-difluorobenzene with sodium hydroxide. Commonly, this involves the chlorination of a benzene ring followed by a nucleophilic aromatic substitution reaction. The process typically yields a high purity product with good selectivity and yield.

What industries use 2-(Trifluoromethyl)phenol (CAS: 444-30-4)?

2-(Trifluoromethyl)phenol (CAS: 444-30-4) is widely used in the pharmaceutical industry for the synthesis of various compounds. It is also utilized in polymer production, where it serves as a stabilizer or monomer. Additionally, it is employed in the development of chemical sensors and in semiconductor manufacturing processes for its unique chemical properties.

What precautions should be taken when handling 2-(Trifluoromethyl)phenol (CAS: 444-30-4)?

When handling 2-(Trifluoromethyl)phenol (CAS: 444-30-4), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with the aid of absorbent materials and appropriate cleaning agents. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.