2-(2,2,2-Trifluoroethoxy)phenol

Basic Information

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CAS Number

160968-99-0

Molecular Formula

C8H7F3O2

Molecular Weight

192.14 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

49-50 ºC

Boiling Point

202°C at 760 mmHg

Flash Point

102 ºC

Refractive Index

1.463

SMILES

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

InChI

InChI=1S/C8H7F3O2/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4,12H,5H2

InChIKey

VDWGLBLCECKXRU-UHFFFAOYSA-N

LogP

2.3332999999999995

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

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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

Synonyms & References

English

Z381415096
EN300-65940
MFCD11181824
Phenol, 2-(2,2,2-trifluoroethoxy)-
DTXSID00517688
CS-0156622
D70688
SY111103
AC-23947
DS-18420
A810207
2-(2,2,2-trifluoroethoxy)phenol
Trifluoroethoxy)phenol
FT-0656528
SCHEMBL2357267
160968-99-0
AKOS009315866
2-(2,2,2-Trifluoroethoxy)phenol
2-(2,2,2-Trifluorethoxy)-phenol
2,6-DIFLUORO-3-METHYLPHENYLACETIC ACID
2-[(trifluoro)ethoxy]phenol
2,2,2-Trifluoro-2'-hydroxyphenetole
KSC496K3R
VDWGLBLCECKXRU-UHFFFAOYSA-N
8136AA
NE30884
2-[2,2,2-tris(fluoranyl)ethoxy]phenol
ST24039096

MDL Number

MFCD11181824

FAQ

What are the physical and chemical properties of 2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0)?

2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0) is a crystalline solid with a molecular weight of approximately 214.14 g/mol. It has a low solubility in water (0.033 g/L at 20°C) but is more soluble in organic solvents such as dichloromethane and acetonitrile. This compound exhibits moderate reactivity, particularly towards nucleophilic substituents, and is less reactive towards electrophiles. It is used in various applications due to its unique electronic properties.

How is 2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0) typically synthesized?

2-(2,2,2-Trifluoroethoxy)phenol is typically synthesized via the reaction of 2,2,2-trifluoroethanol with phenol in the presence of a strong acid catalyst, such as hydrochloric acid. The process involves an etherification step where the hydroxyl group of phenol reacts with the trifluoroethoxy group of the alcohol, yielding the desired product with high selectivity and good yield.

What industries use 2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0)?

2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0) is utilized in several industries, including pharmaceuticals, where it serves as a precursor for drug synthesis; polymers, where it can be used in the formulation of special plastics; and sensors, where its electronic properties are leveraged for detection applications. It also finds use in semiconductor manufacturing processes.

What precautions should be taken when handling 2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0)?

Proper handling of 2-(2,2,2-Trifluoroethoxy)phenol (CAS: 160968-99-0) requires the use of personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a well-ventilated area away from heat sources and flammable materials. In case of a spill, immediately clean up using appropriate absorbent materials and follow the manufacturer's safety data sheet (SDS) for disposal procedures. Always work in a fume hood to minimize inhalation risk.