3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid

Basic Information

View in Editor

CAS Number

128426-86-8

Molecular Formula

C8H3F5O3

Molecular Weight

242.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

C1=C(C(=C(C(=C1F)F)OC(F)F)F)C(=O)O

InChI

InChI=1S/C8H3F5O3/c9-3-1-2(7(14)15)4(10)6(5(3)11)16-8(12)13/h1,8H,(H,14,15)

InChIKey

XKNIFQLRUBLKKI-UHFFFAOYSA-N

LogP

2.4034999999999997

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

262

Synonyms & References

English

128426-86-8
3-difluoromethoxy-2,4.5-trifluorobenzoic acid
3-(difluoromethoxy)-2,4,5-trifluoro-benzoic acid
AKOS015853092
A805817
2,4,5-trifluoro-3-difluoromethoxybenzoic acid
DTXSID30567095
3-difluoromethoxy-2,4,5-trifluorobenzoic acid
SCHEMBL7804048
AC-13845
3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid
FT-0602486
3-Difluoromethoxy-2,4,5-triflu
3-(DIFLUOROMETHYL)-2,4,5-TRIFLUOROBENZOIC ACID
3-Difluoro Methoxy-2,4,5-Trifluorobenzoic Acid
Benzoic acid,3-(difluoromethoxy)-2,4,5-trifluoro
3Difluoromethoxy2,4,5triflu
3(DIFLUOROMETHYL)2,4,5TRIFLUOROBENZOICACID
3DifluoroMethoxy2,4,5TrifluorobenzoicAcid
Benzoic acid, 3-(difluoromethoxy)-2,4,5-trifluoro-

MDL Number

MFCD06410916

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid (CAS: 128426-86-8)?

3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid is a crystalline solid with a molecular weight of approximately 285.03 g/mol. It has a low solubility in water but good solubility in organic solvents like DMSO and acetonitrile. Chemically, it is highly reactive due to the presence of multiple fluorine atoms, which enhance its acidity and make it susceptible to nucleophilic substitution reactions.

How is 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid (CAS: 128426-86-8) typically synthesized?

3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid is typically synthesized through a multi-step process involving bromination, substitution, and acylation. Commonly, the synthesis involves reacting 2,4,5-trifluorobenzoic acid with a difluoromethoxy electrophile in the presence of a base and a suitable catalyst to achieve high selectivity and yield.

What industries use 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid (CAS: 128426-86-8)?

3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid is used in the pharmaceutical industry for the synthesis of various drug candidates due to its unique structural properties. It is also found in the polymer industry for the development of advanced materials, and in the sensor and semiconductor industries for its electronic properties.

What precautions should be taken when handling 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid (CAS: 128426-86-8)?

When handling 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store the compound in a fume hood to minimize exposure to air and handle it in a well-ventilated area. In case of spill, contain the spill using appropriate absorbents and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.