3-Fluoro-2-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

261951-80-8

Molecular Formula

C8H4F4O2

Molecular Weight

208.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

118-121℃

Boiling Point

252.0±40.0 ºC (760 Torr),

Flash Point

106.2±27.3 ºC,

SMILES

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OC(=O)c1cccc(F)c1C(F)(F)F

InChI

InChI=1S/C8H4F4O2/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H,13,14)

InChIKey

CDGGKKODENBDJO-UHFFFAOYSA-N

LogP

2.5427

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Fluoro-2-trifluoromethylbenzoic acid
3-Fluoro-2-(trifluoromethyl)benzoic acid
JRD-0902

MDL Number

MFCD01631565

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8)?

3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8) is a white crystalline solid with a molecular weight of 227.06 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is known for its high reactivity in nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8) typically synthesized?

3-Fluoro-2-(trifluoromethyl)benzoic acid is typically synthesized via the Friedel-Crafts alkylation of 2-(trifluoromethyl)benzoic acid with fluorobenzene in the presence of aluminum chloride as a catalyst. The reaction yields a mixture, but selective methods can be used to improve product purity.

What industries use 3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8)?

3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8) is used in the pharmaceutical industry for the synthesis of certain drugs due to its unique chemical properties. It is also used in polymer and sensor applications, as well as in the electrochemical industry for its conductivity and reactivity.

What precautions should be taken when handling 3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8)?

When handling 3-Fluoro-2-(trifluoromethyl)benzoic acid (CAS: 261951-80-8), wear appropriate personal protective equipment (PPE) including gloves and safety glasses. Store the compound in a fume hood or well-ventilated area to avoid inhalation of fumes. Follow standard laboratory safety procedures, and refer to the Material Safety Data Sheet (MSDS) for detailed handling instructions. Dispose of any waste in accordance with local regulations.