3-(3-Chlorophenyl)acrylic acid

Basic Information

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CAS Number

1866-38-2

Molecular Formula

C9H7ClO2

Molecular Weight

182.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

163.0 to 166.0 deg-C

Boiling Point

326.2℃ at 760 mmHg

Density

1.3320

Flash Point

151.1℃

SMILES

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

InChI

InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)

InChIKey

FFKGOJWPSXRALK-UHFFFAOYSA-N

LogP

2.4378

pKa

4.29(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

189

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

Synonyms & References

English

3-(3-chlorophenyl)prop-2-enoic acid
AKOS000263736
Z-lle-Phe-OH
(E)-m-Chlorocinnamic acid
3-(3-chlorophenyl)acrylicacid
A813070
InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4
14473-90-6
DTXSID10901054
NCGC00342186-01
Cinnamic acid, m-chloro-
NSC-61876
EN300-17548
LS-13583
3-Chlorocinnamicacid
EINECS 238-466-4
SR-01000597227-1
(E)-3-(3-chlorophenyl)prop-2-enoic acid
SR-01000597227
AC7822
BB 0254086
(E)-3-CHLOROCINNAMIC ACID
CHEMBL1771752
1866-38-2
NSC623439
(E)-3-(3-chloro-phenyl)-acrylic acid
AC-14172
(2E)-3-(3-Chlorophenyl)-2-propenoic acid
SCHEMBL79591
NS00087679
AB01334559-02

MDL Number

MFCD00004384

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2)?

3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2) is a crystalline solid with a molecular weight of approximately 183.65 g/mol. It has a pKa of around 3.5 and is slightly soluble in water. The compound is reactive and can undergo polymerization and condensation reactions under certain conditions. It is typically used in organic synthesis and as a precursor in various chemical processes.

How is 3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2) typically synthesized?

3-(3-Chlorophenyl)acrylic acid is commonly synthesized via the chlorination of 3-phenylacrylic acid followed by acetylation. This process involves the use of chlorine gas and acetyl chloride as reagents. The yield can be up to 85%, and the reaction is typically catalyzed by strong acids like sulfuric acid. High selectivity and purity can be achieved using appropriate techniques.

What industries use 3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2)?

3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2) finds applications in pharmaceuticals, where it serves as an intermediate in the synthesis of drug molecules. It is also used in the production of polymers, sensors, and semiconductors due to its functional groups that enhance material properties. Its reactivity and versatility make it a valuable compound in these industries.

What precautions should be taken when handling 3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2)?

When handling 3-(3-Chlorophenyl)acrylic acid (CAS: 1866-38-2), it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to prevent exposure to vapors. Store the compound in a sealed container away from heat and incompatible materials. In case of spills, neutralize with a base and clean up with absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.