2-Chloro-4-(trifluoromethoxy)phenol

Basic Information

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CAS Number

70783-75-4

Molecular Formula

C7H4ClF3O2

Molecular Weight

212.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

67-70 ºC (18 Torr)

Density

1.515±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

75.1±25.9 ºC,

SMILES

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C1=CC(=C(C=C1OC(F)(F)F)Cl)O

InChI

InChI=1S/C7H4ClF3O2/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3,12H

InChIKey

LSTYNKXVEMLNBE-UHFFFAOYSA-N

LogP

2.9442000000000004

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

174

Synonyms & References

English

AKOS016011379
2-Chloro-4-trifluoromethoxyphenol
70783-75-4
2-chloro-4-(trifluoromethoxy)phenol
CS-0081129
2-chloro-4-trifluoromethoxy-phenol
Phenol, 2-chloro-4-(trifluoromethoxy)-
2-chloro-4-(trifluoromethoxy)-phenol
MFCD04972753
FT-0647523
AS-33032
TRANS-4-HEPTYLCYCLOHEXYL-4-FLUOROBENZENE
A836993
DTXSID70516143
SCHEMBL966803
2-Chloro-4-(trifluoromethoxy)phenol
Phenol,2-chloro-4-(trifluoromethoxy)-

MDL Number

MFCD04972753

Customs Code

2909500000

FAQ

What are the physical and chemical properties of 2-Chloro-4-(trifluoromethoxy)phenol (CAS: 70783-75-4)?

2-Chloro-4-(trifluoromethoxy)phenol is a crystalline solid with a molecular weight of approximately 258.01 g/mol. It has a melting point of 110°C and a boiling point of 340°C. The compound is slightly soluble in water but readily soluble in organic solvents like ethanol and dichloromethane. It is moderately reactive, especially under basic conditions, and can undergo electrophilic substitution reactions.

How is 2-Chloro-4-(trifluoromethoxy)phenol (CAS: 70783-75-4) typically synthesized?

2-Chloro-4-(trifluoromethoxy)phenol is typically synthesized via the Suzuki-Miyaura coupling reaction, where 4-(trifluoromethoxy)toluene is coupled with chloroformic acid ester in the presence of a palladium catalyst and a base such as cesium carbonate. The yield is usually around 75-85%, and the reaction is carried out under inert atmosphere to avoid decomposition.

What industries use 2-Chloro-4-(trifluoromethoxy)phenol (CAS: 70783-75-4)?

2-Chloro-4-(trifluoromethoxy)phenol is used in pharmaceuticals for the synthesis of certain drug candidates, in polymers for its flame-retardant properties, and in sensors for its detection capabilities. It is also utilized in the electronics industry for semiconductor applications due to its stability and reactivity.

What precautions should be taken when handling 2-Chloro-4-(trifluoromethoxy)phenol (CAS: 70783-75-4)?

When handling 2-Chloro-4-(trifluoromethoxy)phenol, it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to avoid inhalation of vapors. Keep the compound away from flammable materials and ensure proper ventilation. In case of a spill, neutralize the acid with a base and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for additional handling and disposal information.