3-(4-Chloro-3-fluorophenyl)acrylic acid

Basic Information

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CAS Number

202982-66-9

Molecular Formula

C9H6ClFO2

Molecular Weight

200.6 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

241-245℃

SMILES

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C1=CC(=C(C=C1C=CC(=O)O)F)Cl

InChI

InChI=1S/C9H6ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)

InChIKey

MNELKRQRBRYHBV-UHFFFAOYSA-N

LogP

2.5769

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

218

Safety Information

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Hazard Statement

Synonyms & References

English

(E)-3-(4-chloro-3-fluorophenyl)prop-2-enoic acid
2-Propenoic acid, 3-(4-chloro-3-fluorophenyl)-, (2E)-
CS-0356706
EN300-1456974
AKOS005257782
SCHEMBL1344144
202982-66-9
844694-47-9
(2E)-3-(4-chloro-3-fluorophenyl)prop-2-enoic acid
(e)-3-(4-chloro-3-fluorophenyl)acrylicacid
2-Propenoic acid, 3-(4-chloro-3-fluorophenyl)-
MFCD00143294
MNELKRQRBRYHBV-DUXPYHPUSA-N
(E)-4-chloro-3-fluorocinnamic acid
4-Chloro-3-fluorocinnamic acid
(e)-3-(4-chloro-3-fluorophenyl)acrylic acid
DTXSID50420754
2-Propenoic acid,3-(4-chloro-3-fluorophenyl)-
3-(4-chloro-3-fluoro-phenyl)acrylic acid
3-(4-chloro-3-fluorophenyl)prop-2-enoic acid
JRD-1603
RARECHEM BK HW 0060

MDL Number

MFCD00143294

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-(4-Chloro-3-fluorophenyl)acrylic acid (CAS: 202982-66-9)?

3-(4-Chloro-3-fluorophenyl)acrylic acid is a white crystalline solid with a molecular weight of approximately 246.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and methanol. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It can also undergo polymerization and other organic transformations under certain conditions.

How is 3-(4-Chloro-3-fluorophenyl)acrylic acid (CAS: 202982-66-9) typically synthesized?

3-(4-Chloro-3-fluorophenyl)acrylic acid is usually synthesized through the reaction of 3-(4-chloro-3-fluorophenyl)acryloyl chloride with an appropriate nucleophile, such as a primary amine. The process often involves the use of a phase-transfer catalyst to improve selectivity and yield. The reaction typically proceeds under mild conditions, and the product is purified by recrystallization or column chromatography.

What industries use 3-(4-Chloro-3-fluorophenyl)acrylic acid (CAS: 202982-66-9)?

3-(4-Chloro-3-fluorophenyl)acrylic acid is primarily used in the pharmaceutical and polymer industries. It serves as a intermediates in the synthesis of various drugs and also finds application in the preparation of polymers with specific properties. Additionally, it has potential uses in the development of sensors and semiconductors.

What precautions should be taken when handling 3-(4-Chloro-3-fluorophenyl)acrylic acid (CAS: 202982-66-9)?

When handling 3-(4-Chloro-3-fluorophenyl)acrylic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of fumes. In case of a spill, it should be carefully cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.