3-[2-(Trifluoromethyl)phenyl]acrylic acid

Basic Information

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CAS Number

2062-25-1

Molecular Formula

C10H7F3O2

Molecular Weight

216.16 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

201.0 to 207.0 deg-C

Boiling Point

276.9 °C at 760 mmHg

Density

1.3630

Flash Point

121.3 °C

Refractive Index

1.526

SMILES

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

InChI

InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)

InChIKey

AMVYAIXPAGBXOM-UHFFFAOYSA-N

LogP

2.8032000000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

258

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(Trifluoromethyl)cinnamic acid
UNII-79PJG9RJG3
98386-81-3
CAA06226
MFCD00004381
(E)-3-(2-(trifluoromethyl)phenyl)acrylic acid
EINECS 218-168-0
o-(Trifluoromethyl)cinnamic acid
trans-2-trifluoromethyl-cinnamic acid
(E)-3-(2-(trifluoromethyl)phenyl)acrylicacid
(E)-3-(2-trifluoromethyl-phenyl)-acrylic acid
InChI=1/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
2-(Trifluoromethyl)cinnamicacid
DTXSID201031323
Cinnamic acid, O-(trifluoromethyl)-
3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
79PJG9RJG3
(2E)-3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
trans-2-(Trifluoromethyl)cinnamic acid
A879531
2-Trifluoromethylcinnamic acid
2-(Trifluoromethyl)cinnamic acid, (E)-
W-107607
EN300-1932706
CHEBI:60703
trans-3-(2-Trifluoromethylphenyl)-2-propenoic acid
AMVYAIXPAGBXOM-AATRIKPKSA-
AC-13854
2-Propenoic acid, 3-(2-(trifluoromethyl)phenyl)-, (2E)-
CS-0031354

MDL Number

MFCD00004381

FAQ

What are the physical and chemical properties of 3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1)?

3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1) is a white to off-white crystalline solid. Its molecular weight is approximately 249.12 g/mol. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetonitrile. It is moderately reactive, particularly under basic conditions, and can undergo esterification and amidation reactions. It is stable under typical laboratory conditions but should be stored in a cool, dry place away from direct sunlight.

How is 3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1) typically synthesized?

3-[2-(Trifluoromethyl)phenyl]acrylic acid is typically synthesized via the reaction of 2-(trifluoromethyl)phenylacetyl chloride with sodium hydroxide in a polar aprotic solvent like dimethylformamide (DMF). The process involves the nucleophilic attack of the hydroxide ion on the acetyl chloride group, followed by dehydration to form the carboxylic acid. Common catalysts include triethylamine and 4-dimethylaminopyridine (DMAP) to improve selectivity and yield.

What industries use 3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1)?

3-[2-(Trifluoromethyl)phenyl]acrylic acid finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs and intermediates. In the polymer industry, it serves as a monomer for the production of speciality polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique physicochemical properties.

What precautions should be taken when handling 3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1)?

When handling 3-[2-(Trifluoromethyl)phenyl]acrylic acid (CAS: 2062-25-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of its fumes. Spills should be cleaned up using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling procedures and emergency response.