[3,5-Bis(trifluoromethyl)phenyl]acetic acid

Basic Information

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CAS Number

85068-33-3

Molecular Formula

C10H6F6O2

Molecular Weight

272.14 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

125.0 to 129.0 deg-C

Density

1.4478 (estimate)

Flash Point

91.5℃

Solubility

methanol: soluble25mg/mL, clear, colorless

SMILES

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OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)

InChIKey

PAWSKKHEEYTXSA-UHFFFAOYSA-N

LogP

3.351300000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

287

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(3,5-Bis(trifluoromethyl)phenyl)acetic acid
3,5-Bis(trifluoromethyl)phenylacetic acid
3,5-Bis(trifluoromethyl)-phenylacetic acid
2-[3,5-bis(trifluoromethyl)phenyl]acetic acid
2-[3,5-di(trifluoromethyl)phenyl]acetic acid
Bis(trifluoromethyl)benzeneacetic Acid

MDL Number

MFCD00009908

Customs Code

2916399090

FAQ

What are the physical and chemical properties of [3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3)?

[3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3) is a highly reactive compound with a crystalline form. It has a molecular weight of approximately 354.15 g/mol. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits strong acidity and can undergo various reactions such as esterification and nucleophilic substitution.

How is [3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3) typically synthesized?

[3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3) can be synthesized by the acetylation of 3,5-bis(trifluoromethyl)phenol using acetic anhydride in the presence of a catalyst like pyridine. The reaction is typically carried out under mild conditions to achieve high yield and selectivity. This compound is also synthesized by the oxidation of 3,5-bis(trifluoromethyl)toluene with sodium hypochlorite.

What industries use [3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3)?

[3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for enhancing properties of polymers, and in the electronics industry for the production of sensors and semiconductors. It is also utilized in the preparation of various organic compounds for research and development.

What precautions should be taken when handling [3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3)?

When handling [3,5-Bis(trifluoromethyl)phenyl]acetic acid (CAS: 85068-33-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its volatility and reactivity. Spills should be handled carefully using appropriate spill kits, and the material safety data sheet (MSDS) should be consulted for detailed safety information.